SCHEMBL977528

SCHEMBL977528

CS(=O)(=O)Nc1cc(C(F)(F)F)c(Cl)cc1I

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 7/20 0.40
KIF11 P52732 2/20 0.38
SLC22A12 Q96S37 1/20 0.38
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PLA2G7 Q13093 1/20 0.35
NOTUM Q6P988 1/20 0.35
SCN9A Q15858 2/20 0.34
PPOX P50336 1/20 0.34
CA2 P00918 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL977741 0.83 KIF11 (0.49) KIF11SLC22A12PLA2G7CA2
SCHEMBL12330754 0.81 CFTR (0.39) KIF11SLC22A12PIK3CDPIK3CAPIK3CB
SCHEMBL3927074 0.79 PIK3CD (0.39) CCR2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL977855 0.78 AR (0.44) KIF11SLC22A12
SCHEMBL13302030 0.78 KIF11 (0.36) KIF11SLC22A12PIK3CDPIK3CAPIK3CB
SCHEMBL979716 0.77 CCR2 (0.44) CCR2KIF11POLB
SCHEMBL16637618 0.76 PIK3CD (0.39) KIF11SLC22A12PIK3CDPIK3CAPIK3CB
SCHEMBL980032 0.76 PIK3CD (0.39) CCR2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL15218451 0.71 KDR (0.57) CCR2KIF11CA2
SCHEMBL3746873 0.71 KIF11 (0.50) KIF11SLC22A12POLBCA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9434688-B2 Indole derivatives as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2016-09-06 US disclosed
EP-2078712-B1 Indole derivatives as selective androgen receptor modulators (sarms) JANSSEN PHARMACEUTICA NV (BE) 2015-06-10 EP disclosed
US-20140249197-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA, NV (BE) 2014-09-04 US disclosed
EP-1753749-B1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2014-07-30 EP disclosed
US-8765782-B2 Indole derivatives as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA, NV (BE) 2014-07-01 US disclosed
US-8394971-B2 Indole derivatives as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2013-03-12 US disclosed
EP-1771413-B1 BENZOFURAN DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2011-09-21 EP disclosed
US-20110021785-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) LANTER JAMES C 2011-01-27 US disclosed
US-20100144823-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) LANTAR JAMES C 2010-06-10 US disclosed
US-7705147-B2 e.g.2-(2-ethylsulfanyl-1-hydroxy-1-methyl-ethyl)-6-trifluoromethyl-(pyrimidine or pyridazine or piperazine)-pyrrole-5-carbonitrile; anticarcinogenic; prostate carcinoma, benign prostatic hyperplasia (BPH), hirsutism, alopecia, anorexia nervosa, breast cancer, acne, AIDS, cachexia, as a male contraceptive JANSSEN PHARMACEUTICA NV (BE) 2010-04-27 US disclosed
US-7678926-B2 Indole derivatives as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2010-03-16 US disclosed
US-20090216023-A1 e.g.2-(2-ethylsulfanyl-1-hydroxy-1-methyl-ethyl)-6-trifluoromethyl-(pyrimidine or pyridazine or piperazine)-pyrrole-5-carbonitrile; anticarcinogenic; prostate carcinoma, benign prostatic hyperplasia (BPH), hirsutism, alopecia, anorexia nervosa, breast cancer, acne, AIDS, cachexia, as a male contraceptive LANTER JAMES C 2009-08-27 US disclosed
EP-2078712-A1 Indole derivatives as selective androgen receptor modulators (sarms) Janssen Pharmaceutica, N.V. (BE) 2009-07-15 EP disclosed
US-7427682-B2 non-steroidal agonists and antagonists; 2-(2-ethylsulfanyl-1-hydroxy-1-methyl-ethyl)-6-trifluoromethyl-1H-indole-5--carbonitrile; anticarcinogenic; prostate carcinoma, benign prostatic hyperplasia (BPH), hirsutism, alopecia, anorexia nervosa, breast cancer, acne, AIDS, cachexia, as a male contraceptive JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-23 US disclosed
US-20080070970-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) LANTER JAMES C 2008-03-20 US disclosed
US-7288553-B2 Indole derivatives as selective androgen receptor modulator (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-30 US disclosed
US-7282507-B2 Indole derivatives as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-16 US disclosed
US-20050250741-A1 non-steroidal agonists and antagonists; 2-(2-ethylsulfanyl-1-hydroxy-1-methyl-ethyl)-6-trifluoromethyl-1H-indole-5--carbonitrile; anticarcinogenic; prostate carcinoma, benign prostatic hyperplasia (BPH), hirsutism, alopecia, anorexia nervosa, breast cancer, acne, AIDS, cachexia, as a male contraceptive JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-10 US disclosed
US-20050250740-A1 Novel indole derivatives as selective androgen receptor modulator (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-10 US disclosed
US-20050245485-A1 Novel indole derivatives as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050250741-A1 non-steroidal agonists and antagonists; 2-(2-ethylsulfanyl-1-hydroxy-1-methyl-ethyl)-6-trifluoromethyl-1H-indole-5--carbonitrile; anticarcinogenic; prostate carcinoma, benign prostatic hyperplasia (BPH), hirsutism, alopecia, anorexia nervosa, breast cancer, acne, AIDS, cachexia, as a male contraceptive AR, NR5A1, FSHR CCR2 243/4885KIF11 3813/4885SLC22A12 3584/4885
US-20100144823-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 CCR2 1037/4885KIF11 2731/4885SLC22A12 3482/4885
US-20090216023-A1 e.g.2-(2-ethylsulfanyl-1-hydroxy-1-methyl-ethyl)-6-trifluoromethyl-(pyrimidine or pyridazine or piperazine)-pyrrole-5-carbonitrile; anticarcinogenic; prostate carcinoma, benign prostatic hyperplasia (BPH), hirsutism, alopecia, anorexia nervosa, breast cancer, acne, AIDS, cachexia, as a male contraceptive AR, SHBG, FSHR CCR2 134/4885KIF11 3344/4885SLC22A12 4125/4885
US-20110021785-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 CCR2 1037/4885KIF11 2731/4885SLC22A12 3482/4885
US-20140249197-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 CCR2 1037/4885KIF11 2731/4885SLC22A12 3482/4885
US-20050245485-A1 Novel indole derivatives as selective androgen receptor modulators (SARMS) AR, NR5A1, NR5A2 CCR2 1037/4885KIF11 2731/4885SLC22A12 3482/4885
US-20080070970-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 CCR2 1037/4885KIF11 2731/4885SLC22A12 3482/4885
US-20050250740-A1 Novel indole derivatives as selective androgen receptor modulator (SARMS) AR, NR5A1, NR5A2 CCR2 1041/4885KIF11 2621/4885SLC22A12 3364/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.