SCHEMBL979716

SCHEMBL979716

CS(=O)(=O)Nc1cc(C(F)(F)F)c([N+](=O)[O-])cc1I

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.44
GAA P10253 1/20 0.43
KIF11 P52732 1/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
SIRT6 Q8N6T7 1/20 0.39
CYP3A4 P08684 2/20 0.38
AR P10275 2/20 0.38
LMNA P02545 2/20 0.38
CES2 O00748 1/20 0.38
ABCB11 O95342 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
TBXA2R P21731 1/20 0.38

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
SCHEMBL12922611 0.80 ALDH1A1 (0.43) CCR2MAPTPOLBCYP3A4LMNA
SCHEMBL977741 0.78 KIF11 (0.49) KIF11
SCHEMBL977528 0.77 CCR2 (0.40) CCR2KIF11POLB
SCHEMBL12330754 0.77 CFTR (0.39) KIF11CA12CA9
SCHEMBL12330515 0.75 CA12 (0.37) CCR2GAAKIF11SIRT6CYP3A4
SCHEMBL977855 0.73 AR (0.44) KIF11AR
SCHEMBL13302030 0.73 KIF11 (0.36) KIF11CYP3A4ARCYP1A2TSHR
SCHEMBL979706 0.71 ALDH1A1 (0.47) KIF11MAPTPOLBSIRT6CYP3A4
SCHEMBL31451451 0.71 ALDH1A1 (0.47) KIF11MAPTPOLBSIRT6CYP3A4
SCHEMBL20225775 0.71 GAA (0.47) GAAMAPTPOLBCYP3A4LMNA

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 45 patents — showing the first 20. 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
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
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
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
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-8765782-B2 Indole derivatives as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA, NV (BE) 2014-07-01 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-7288553-B2 Indole derivatives as selective androgen receptor modulator (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-30 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-7282507-B2 Indole derivatives as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-16 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 (5 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 243/4885GAA 4706/4885KIF11 3813/4885
US-20140249197-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 CCR2 1037/4885GAA 4636/4885KIF11 2731/4885
US-20050245485-A1 Novel indole derivatives as selective androgen receptor modulators (SARMS) AR, NR5A1, NR5A2 CCR2 1037/4885GAA 4636/4885KIF11 2731/4885
US-20080070970-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 CCR2 1037/4885GAA 4636/4885KIF11 2731/4885
US-20050250740-A1 Novel indole derivatives as selective androgen receptor modulator (SARMS) AR, NR5A1, NR5A2 CCR2 1041/4885GAA 4665/4885KIF11 2621/4885

“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.