SCHEMBL12680792

SCHEMBL12680792

CC1CC(=O)c2sc(C(C)(C)C)nc2C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.50
PIK3CA P42336 2/20 0.50
PIK3CB P42338 2/20 0.50
PIK3CG P48736 2/20 0.50
ALDH1A1 P00352 3/20 0.33
MAPT P10636 1/20 0.33
GRM5 P41594 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL13736606 0.77 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL691175 0.76 ALDH1A1 (0.55) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL9964551 0.72 ALDH1A1 (0.56) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL12680625 0.70 ALDH1A1 (0.63) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL20614074 0.68 CNR1 (0.31)
SCHEMBL1176987 0.67 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL10502127 0.67 HPGD (0.45) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL691848 0.66 HPGD (0.44) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL17031863 0.66 ATAD2 (0.36) ALDH1A1GRM5
SCHEMBL13526463 0.64 PDK1 (0.58) ALDH1A1MAPTKDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273772-B2 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-25 US disclosed
US-20100093689-A1 HETEROARYL COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 US disclosed
US-7645778-B2 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-12 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 (1 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-20100093689-A1 HETEROARYL COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS P2RY1, P2RY11, P2RY2 PIK3CD 124/4885PIK3CA 97/4885PIK3CB 155/4885

“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.