SCHEMBL979856

SCHEMBL979856

CC(O)(CSCc1ccccc1)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2n1S(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.38
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
ALDH1A1 P00352 1/20 0.33
LMNA P02545 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
SCHEMBL14376989 0.88 AR (0.39) ARALDH1A1LMNA
SCHEMBL12922640 0.88 ALDH1A1 (0.41) THRBALDH1A1LMNA
SCHEMBL978167 0.88 AR (0.35) AR
SCHEMBL14263485 0.86 AR (0.35) AR
SCHEMBL980033 0.85 AR (0.33) AR
SCHEMBL980464 0.83 AR (0.34) AR
SCHEMBL978918 0.82 AR (0.36) AR
SCHEMBL5519495 0.82 AR (0.33) AR
SCHEMBL978571 0.81 AR (0.35) AR
SCHEMBL980104 0.80 AR (0.33) AR

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 42 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
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-8765782-B2 Indole derivatives as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA, NV (BE) 2014-07-01 US disclosed
US-7282507-B2 Indole derivatives as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-16 US disclosed
EP-1771413-A2 INDOLE, BENZOFURAN AND BENZOTHIPHENE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-11 EP disclosed
EP-1756109-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-28 EP disclosed
EP-1753749-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-21 EP disclosed
WO-2005110985-A2 INDOLE, BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-24 WO disclosed
WO-2005111042-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-24 WO disclosed
WO-2005111028-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-24 WO disclosed
US-20050250740-A1 Novel indole derivatives as selective androgen receptor modulator (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-10 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-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 (4 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 AR 1/4885THRA 81/4885THRB 96/4885
US-20140249197-A1 NOVEL INDOLE DERIVATIVES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 AR 1/4885THRA 172/4885THRB 131/4885
US-20050245485-A1 Novel indole derivatives as selective androgen receptor modulators (SARMS) AR, NR5A1, NR5A2 AR 1/4885THRA 172/4885THRB 131/4885
US-20050250740-A1 Novel indole derivatives as selective androgen receptor modulator (SARMS) AR, NR5A1, NR5A2 AR 1/4885THRA 176/4885THRB 134/4885

“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.