SCHEMBL2980776

SCHEMBL2980776

CCS(=O)(=O)c1cc(C#N)c(C(F)(F)F)cc1N

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
AR P10275 13/20 0.40
SLC22A12 Q96S37 2/20 0.39
CYP2C19 P33261 1/20 0.38
ABCB11 O95342 1/20 0.38
ALB P02768 1/20 0.38
PGR P06401 1/20 0.38
ADRA2C P18825 1/20 0.38
GHSR Q92847 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
SCHEMBL2980775 0.81 AR (0.40) ARCYP2C19ABCB11ALBPGR
SCHEMBL202273 0.78 AR (0.47) ARPGR
SCHEMBL1259671 0.75 AR (0.46) ARPGR
SCHEMBL203731 0.73 AR (0.44) ARPGR
SCHEMBL324217 0.73 AR (0.47) ARPGR
SCHEMBL202363 0.72 AR (0.50) ARPGR
SCHEMBL12495047 0.71 TRPV4 (0.42) ARPGR
SCHEMBL202164 0.70 AR (0.55) ARPGR
SCHEMBL29502009 0.69 AR (0.41) CA12CA1CA2CA4CA6
SCHEMBL4025318 0.69 AR (0.41) CA12CA1CA2CA4CA6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817292-B1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2015-04-08 EP disclosed
US-20100267670-A1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) ZHANG XUQING 2010-10-21 US disclosed
US-7781473-B2 Heterocycle derivatives useful as selective androgen receptor modulators (SARMS) J & J Pharmaceutical Research & Development, LLC. (US) 2010-08-24 US disclosed
US-20090131365-A1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) ZHANG XUQING 2009-05-21 US disclosed
US-7465809-B2 Heterocycle derivatives useful as selective androgen receptor modulators (SARMs) JANSSEN PHARMACEUTICA N.V. (BG) 2008-12-16 US disclosed
US-20060211756-A1 Novel heterocycle derivatives useful as selective androgen receptor modulators (SARMs) JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-21 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 (3 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-20060211756-A1 Novel heterocycle derivatives useful as selective androgen receptor modulators (SARMs) AR, NR5A1, NR5A2 CA12 4544/4885CA1 4793/4885CA2 4683/4885
US-20090131365-A1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 CA12 4544/4885CA1 4793/4885CA2 4683/4885
US-20100267670-A1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 CA12 4544/4885CA1 4793/4885CA2 4683/4885

“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.