SCHEMBL3280072

SCHEMBL3280072

COC(=O)c1ccc(C#N)c(Cl)c1C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
AR P10275 7/20 0.44
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 1/20 0.42
ABL1 P00519 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40

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
SCHEMBL27996672 0.87 GAA (0.44) GAAARALDH1A1CYP1A2CYP3A4
SCHEMBL20766672 0.82 GAA (0.47) GAAALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL1976657 0.81 GAA (0.42) GAAARALDH1A1CYP1A2CYP3A4
SCHEMBL31305200 0.81 HPGD (0.46) GAAALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL2427915 0.81 GAA (0.49) GAAALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL2964001 0.80 AR (0.46) AR
SCHEMBL1973358 0.79 GAA (0.44) GAAALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4923169 0.79 ALDH1A1 (0.47) GAAALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4085699 0.78 KDM4E (0.40) GAAALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL23089679 0.78 PTGS2 (0.51) GAAALDH1A1LMNAABL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732480-B2 Bicyclic compounds as modulators of androgen receptor function and method BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-08 US disclosed
US-7732480-B2 Bicyclic compounds as modulators of androgen receptor function and method BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-08 US disclosed
US-7696241-B2 Bicyclic compounds as modulators of androgen receptor function and method BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-13 US disclosed
US-7696241-B2 Bicyclic compounds as modulators of androgen receptor function and method BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-13 US disclosed
US-20080096954-A1 Novel Bicyclic Compounds As Modulators of Androgen Receptor Function And Method BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-24 US disclosed
US-20080096954-A1 Novel Bicyclic Compounds As Modulators of Androgen Receptor Function And Method BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-24 US disclosed
EP-1722790-A4 NOVEL BICYCLIC COMPOUNDS AS MODULATORS OF ANDROGEN RECEPTOR FUNCTION AND METHOD BRISTOL MYERS SQUIBB CO (US) 2007-10-31 EP disclosed
US-20070004717-A1 Novel bicyclic compounds as modulators of androgen receptor function and method BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 US disclosed
US-20070004717-A1 Novel bicyclic compounds as modulators of androgen receptor function and method BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 US disclosed
EP-1722790-A2 NOVEL BICYCLIC COMPOUNDS AS MODULATORS OF ANDROGEN RECEPTOR FUNCTION AND METHOD Bristol-Myers Squibb Company (US) 2006-11-22 EP disclosed
WO-2005086735-A2 NOVEL BICYCLIC COMPOUNDS AS MODULATORS OF ANDROGEN RECEPTOR FUNCTION AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-22 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-20070004717-A1 Novel bicyclic compounds as modulators of androgen receptor function and method AR, NR5A1, ESRRA GAA 3661/4885AR 1/4885ALDH1A1 1595/4885
US-20080096954-A1 Novel Bicyclic Compounds As Modulators of Androgen Receptor Function And Method AR, NR5A1, ESRRA GAA 3365/4885AR 1/4885ALDH1A1 1781/4885

“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.