SCHEMBL10101161

SCHEMBL10101161

CNC(=O)c1cc(O)cc2c1[C@]1(C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1CS2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.45
ENTPD5 O75356 1/20 0.38
FDPS P14324 5/20 0.36
CYP19A1 P11511 1/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2C9 P11712 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
PTPN1 P18031 2/20 0.32
HIF1A Q16665 1/20 0.32
EPAS1 Q99814 1/20 0.32
GGPS1 O95749 1/20 0.32
PIK3CA P42336 2/20 0.32
PIK3CG P48736 2/20 0.32
BCL9 O00512 3/20 0.31
CTNNB1 P35222 3/20 0.31
MAPT P10636 2/20 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
SCHEMBL10101367 0.90 PIK3CB (0.43) PIK3CBENTPD5FDPSALDH1A1CYP3A4
SCHEMBL10101264 0.87 PIK3CB (0.41) PIK3CBENTPD5FDPSALDH1A1CYP3A4
SCHEMBL10101140 0.84 PIK3CB (0.43) PIK3CBENTPD5FDPSCYP19A1ALDH1A1
SCHEMBL10101131 0.82 PIK3CB (0.47) PIK3CBENTPD5CYP19A1ALDH1A1CYP3A4
SCHEMBL10101130 0.79 PIK3CB (0.41) PIK3CBENTPD5FDPSCYP19A1ALDH1A1
SCHEMBL10101159 0.79 PIK3CB (0.45) PIK3CBENTPD5FDPSCYP19A1ALDH1A1
SCHEMBL10101162 0.78 PIK3CB (0.43) PIK3CBENTPD5CYP19A1ALDH1A1CYP3A4
SCHEMBL10101266 0.76 PIK3CB (0.53) PIK3CBENTPD5ALDH1A1CYP3A4CYP2C9
SCHEMBL10101121 0.75 TRPV1 (0.49) PIK3CBENTPD5CYP19A1ALDH1A1CYP3A4
SCHEMBL10101314 0.74 TRPV1 (0.40) PIK3CBENTPD5CYP19A1ALDH1A1CYP3A4

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 2 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
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 750/4885FDPS 4474/4885

“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.