SCHEMBL4422826

SCHEMBL4422826

CCc1c(NC(=O)N2CCC(O)C2C(=O)O)ccc(C#N)c1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.37
TP53 P04637 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.35
USP30 Q70CQ3 2/20 0.34
PGR P06401 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 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
SCHEMBL13598879 1.00 AR (0.37) ARTP53TRPM8USP30PGR
SCHEMBL4421183 0.92 AR (0.43) ARTP53TRPM8USP30PGR
SCHEMBL6025293 0.76 AR (0.57) ARPGR
SCHEMBL2956204 0.76 AR (0.57) ARPGR
SCHEMBL4422890 0.73 PDK1 (0.43) ARPGR
SCHEMBL204731 0.71 JAK3 (0.37) ARPGR
SCHEMBL4423603 0.68 AR (0.48) AR
SCHEMBL6094398 0.68 AR (0.48) AR
SCHEMBL13216320 0.67 AR (0.67) ARPGR
SCHEMBL2963011 0.67 AR (0.67) ARPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7632858-B2 Open chain prolyl urea-related modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-15 US claimed
US-7632858-B2 Open chain prolyl urea-related modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-15 US disclosed
US-7632858-B2 Open chain prolyl urea-related modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-15 US disclosed
US-20080108691-A1 OPEN-CHAIN PROLYL UREA-RELATED MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-08 US disclosed
US-20080108691-A1 OPEN-CHAIN PROLYL UREA-RELATED MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-08 US disclosed
EP-1567487-A4 OPEN CHAIN PROLYL UREA-RELATED MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2005-11-16 EP disclosed
EP-1567487-A2 OPEN CHAIN PROLYL UREA-RELATED MODULATORS OF ANDROGEN RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2005-08-31 EP disclosed
US-20050059652-A1 Open chain prolyl urea-related modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2005-03-17 US disclosed
WO-2004045518-A2 OPEN CHAIN PROLYL UREA-RELATED MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-03 WO 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 (2 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-20050059652-A1 Open chain prolyl urea-related modulators of androgen receptor function AR, SHBG, ESRRA AR 1/4885TP53 947/4885TRPM8 4322/4885
US-20080108691-A1 OPEN-CHAIN PROLYL UREA-RELATED MODULATORS OF ANDROGEN RECEPTOR FUNCTION SHBG, ESRRA, AR AR 3/4885TP53 1159/4885TRPM8 4237/4885

“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.