SCHEMBL10101263

SCHEMBL10101263

CC1(C)CCC[C@]2(C)[C@H]3CSc4cc(O)c(C=O)cc4[C@]3(C)CC[C@@H]12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 3/20 0.43
PIK3CB P42338 1/20 0.41
IDO1 P14902 3/20 0.39
ENTPD5 O75356 1/20 0.38
PIK3CA P42336 3/20 0.37
PIK3CG P48736 3/20 0.37
TRPV1 Q8NER1 1/20 0.36
CYP3A4 P08684 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
TRPM2 O94759 1/20 0.34
PLA2G2A P14555 1/20 0.34
TRPA1 O75762 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
MAPKAPK2 P49137 2/20 0.34

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
SCHEMBL10101257 0.86 POLA1 (0.44) POLA1PIK3CBIDO1ENTPD5PIK3CA
SCHEMBL386764 0.78 ENTPD5 (0.51) PIK3CBENTPD5PIK3CAPIK3CGTRPV1
SCHEMBL10101323 0.75 ENTPD5 (0.39) PIK3CBIDO1ENTPD5TRPV1CYP3A4
SCHEMBL10101131 0.74 PIK3CB (0.47) PIK3CBIDO1ENTPD5PIK3CAPIK3CG
SCHEMBL10101121 0.73 TRPV1 (0.49) PIK3CBIDO1ENTPD5PIK3CAPIK3CG
SCHEMBL10101150 0.72 PIK3CB (0.45) PIK3CBIDO1ENTPD5PIK3CAPIK3CG
SCHEMBL2035426 0.72 POLA1 (0.42) POLA1PIK3CBENTPD5CYP3A4ALDH1A1
SCHEMBL10101140 0.70 PIK3CB (0.43) PIK3CBIDO1ENTPD5PIK3CAPIK3CG
SCHEMBL10101134 0.70 PIK3CB (0.43) PIK3CBIDO1ENTPD5PIK3CAPIK3CG
SCHEMBL10101208 0.70 PIK3CB (0.43) PIK3CBIDO1ENTPD5PIK3CAPIK3CG

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 POLA1 2511/4885PIK3CB 98/4885IDO1 1973/4885

“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.