SCHEMBL10101266

SCHEMBL10101266

COc1cc2c(c(C(=O)O)c1)[C@]1(C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1CS2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.53
PLA2G2A P14555 2/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
MAPKAPK2 P49137 1/20 0.34
POLA1 P09884 2/20 0.34
ENTPD5 O75356 1/20 0.34
PIK3CA P42336 2/20 0.33
PIK3CG P48736 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALOX15 P16050 2/20 0.32
ALOX12 P18054 2/20 0.32
IDO1 P14902 2/20 0.31
NR1H4 Q96RI1 2/20 0.31
TRPM2 O94759 1/20 0.31
TRPV1 Q8NER1 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
SCHEMBL10101264 0.89 PIK3CB (0.41) PIK3CBPLA2G2APTPN2PTPN1POLA1
SCHEMBL10101134 0.85 PIK3CB (0.43) PIK3CBMAPKAPK2ENTPD5PIK3CAPIK3CG
SCHEMBL10101208 0.85 PIK3CB (0.43) PIK3CBMAPKAPK2ENTPD5PIK3CAPIK3CG
SCHEMBL10101139 0.84 PIK3CB (0.38) PIK3CBPTPN1POLA1ENTPD5PIK3CA
SCHEMBL10101125 0.84 PIK3CB (0.38) PIK3CBPLA2G2APOLA1ENTPD5PIK3CA
SCHEMBL10101267 0.80 PIK3CB (0.37) PIK3CBPOLA1ENTPD5PIK3CAPIK3CG
SCHEMBL10101207 0.79 PIK3CB (0.36) PIK3CBPIK3CAPIK3CGALOX15ALOX12
SCHEMBL10101138 0.79 PIK3CB (0.36) PIK3CBPIK3CAPIK3CGALOX15ALOX12
SCHEMBL10101130 0.77 PIK3CB (0.41) PIK3CBPLA2G2AENTPD5PIK3CAPIK3CG
SCHEMBL2035426 0.76 POLA1 (0.42) PIK3CBMAPKAPK2POLA1ENTPD5ALDH1A1

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 98/4885PLA2G2A 640/4885PTPN2 74/4885

“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.