SCHEMBL10101162

SCHEMBL10101162

CC1(C)CCC[C@]2(C)[C@H]3CSc4cc(O)cc(C#N)c4[C@]3(C)CC[C@@H]12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.43
ENTPD5 O75356 1/20 0.40
CYP19A1 P11511 2/20 0.37
TRPV1 Q8NER1 1/20 0.34
PIK3CA P42336 4/20 0.32
PIK3CG P48736 4/20 0.32
USP2 O75604 2/20 0.32
CYP3A4 P08684 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
IDO1 P14902 3/20 0.32
HSP90AA1 P07900 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL10101363 0.88 PIK3CB (0.39) PIK3CBENTPD5TRPV1CYP3A4ALDH1A1
SCHEMBL10101131 0.85 PIK3CB (0.47) PIK3CBENTPD5CYP19A1TRPV1PIK3CA
SCHEMBL10101267 0.85 PIK3CB (0.37) PIK3CBENTPD5PIK3CAPIK3CGCYP3A4
SCHEMBL10101140 0.84 PIK3CB (0.43) PIK3CBENTPD5CYP19A1TRPV1PIK3CA
SCHEMBL10101130 0.81 PIK3CB (0.41) PIK3CBENTPD5CYP19A1TRPV1PIK3CA
SCHEMBL386764 0.78 ENTPD5 (0.51) PIK3CBENTPD5TRPV1PIK3CAPIK3CG
SCHEMBL10101161 0.78 PIK3CB (0.45) PIK3CBENTPD5CYP19A1TRPV1PIK3CA
SCHEMBL10101163 0.77 PIK3CB (0.44) PIK3CBENTPD5CYP19A1TRPV1PIK3CA
SCHEMBL10101121 0.77 TRPV1 (0.49) PIK3CBENTPD5CYP19A1TRPV1PIK3CA
SCHEMBL10101134 0.77 PIK3CB (0.43) PIK3CBENTPD5CYP19A1TRPV1PIK3CA

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-8101605-B2 SHIP1 modulators and methods related thereto AQUINOX PHARMACEUTICALS INC. (CA) 2012-01-24 US disclosed
WO-2011069118-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO AQUINOX PHARMACEUTICALS INC. (CA) 2011-06-09 WO disclosed
US-20110136802-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO AQUINOX PHARMACEUTICALS INC. (CA) 2011-06-09 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-20110136802-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO PPM1D, PTPRO, PPM1G PIK3CB 98/4885ENTPD5 750/4885CYP19A1 3981/4885

“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.