SCHEMBL10101172

SCHEMBL10101172

CC1(C)CCC[C@]2(C)[C@H]3CS(=O)(=O)c4cc(O)cc(C(=O)NCC(=O)O)c4[C@]3(C)CC[C@@H]12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.43
MAPKAPK2 P49137 1/20 0.33
ENTPD5 O75356 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
PTPN1 P18031 3/20 0.31
PTPN2 P17706 2/20 0.31
PNLIP P16233 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CG P48736 1/20 0.31
CYP19A1 P11511 1/20 0.31
HIF1A Q16665 1/20 0.30
EPAS1 Q99814 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
SCHEMBL10101390 0.93 PIK3CB (0.41) PIK3CBMAPKAPK2ENTPD5TRPV1PIK3CA
SCHEMBL10101279 0.91 PIK3CB (0.40) PIK3CBMAPKAPK2ENTPD5TRPV1PIK3CA
SCHEMBL10101159 0.88 PIK3CB (0.45) PIK3CBMAPKAPK2ENTPD5TRPV1PTPN1
SCHEMBL10101157 0.86 PIK3CB (0.57) PIK3CBMAPKAPK2ENTPD5TRPV1PTPN1
SCHEMBL10101177 0.86 PIK3CB (0.44) PIK3CBMAPKAPK2ENTPD5TRPV1PTPN1
SCHEMBL10101179 0.85 PIK3CB (0.43) PIK3CBMAPKAPK2ENTPD5TRPV1PIK3CA
SCHEMBL10101369 0.80 PIK3CB (0.42) PIK3CBMAPKAPK2ENTPD5TRPV1PTPN1
SCHEMBL10101133 0.80 PIK3CB (0.47) PIK3CBMAPKAPK2ENTPD5TRPV1PIK3CA
SCHEMBL10101368 0.80 PIK3CB (0.43) PIK3CBMAPKAPK2ENTPD5TRPV1CYP19A1
SCHEMBL10101178 0.79 PIK3CB (0.42) PIK3CBMAPKAPK2ENTPD5TRPV1CYP19A1

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 98/4885MAPKAPK2 2718/4885ENTPD5 750/4885

“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.