SCHEMBL10101164

SCHEMBL10101164

COc1cc(C(=O)O)cc2c1[C@]1(C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1CS2(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.45
MAPKAPK2 P49137 1/20 0.37
PLA2G2A P14555 2/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CG P48736 2/20 0.36
ALOX15 P16050 3/20 0.36
ALOX12 P18054 3/20 0.36
KMT2A Q03164 1/20 0.35
TRPM2 O94759 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
PKM P14618 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33

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
SCHEMBL10101361 0.92 PIK3CB (0.40) PIK3CBMAPKAPK2PLA2G2APIK3CAPIK3CG
SCHEMBL10101249 0.91 PIK3CB (0.40) PIK3CBMAPKAPK2PLA2G2APIK3CAPIK3CG
SCHEMBL10101165 0.89 PIK3CB (0.39) PIK3CBMAPKAPK2PLA2G2APIK3CAPIK3CG
SCHEMBL10101365 0.89 PIK3CB (0.39) PIK3CBMAPKAPK2PLA2G2APIK3CAPIK3CG
SCHEMBL10101155 0.87 PIK3CB (0.52) PIK3CBMAPKAPK2PLA2G2APIK3CAPIK3CG
SCHEMBL10101167 0.87 PIK3CB (0.54) PIK3CBMAPKAPK2PLA2G2APIK3CAPIK3CG
SCHEMBL10101153 0.87 PIK3CB (0.42) PIK3CBPLA2G2APIK3CAPIK3CGALOX15
SCHEMBL10101166 0.86 PIK3CB (0.46) PIK3CBMAPKAPK2PLA2G2APIK3CAPIK3CG
SCHEMBL10101338 0.85 PIK3CB (0.41) PIK3CBPLA2G2APIK3CAPIK3CGALOX15
SCHEMBL10101126 0.85 PIK3CB (0.39) PIK3CBPLA2G2APIK3CAPIK3CGALOX15

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 98/4885MAPKAPK2 2718/4885PLA2G2A 640/4885

“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.