SCHEMBL10101155

SCHEMBL10101155

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 2/20 0.52
MAPKAPK2 P49137 2/20 0.43
CYP19A1 P11511 2/20 0.39
IDO1 P14902 3/20 0.36
TRPV1 Q8NER1 1/20 0.36
ENTPD5 O75356 1/20 0.35
PIK3CA P42336 4/20 0.34
PIK3CG P48736 4/20 0.34
PLA2G2A P14555 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
ALOX15 P16050 1/20 0.34
BCL9 O00512 2/20 0.32
CTNNB1 P35222 2/20 0.32

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
SCHEMBL10101332 0.92 PIK3CB (0.47) PIK3CBMAPKAPK2CYP19A1IDO1TRPV1
SCHEMBL10101167 0.89 PIK3CB (0.54) PIK3CBMAPKAPK2CYP19A1IDO1TRPV1
SCHEMBL10101156 0.89 PIK3CB (0.45) PIK3CBMAPKAPK2CYP19A1IDO1TRPV1
SCHEMBL10101177 0.87 PIK3CB (0.44) PIK3CBMAPKAPK2CYP19A1IDO1TRPV1
SCHEMBL10101133 0.87 PIK3CB (0.47) PIK3CBMAPKAPK2CYP19A1IDO1TRPV1
SCHEMBL10101164 0.87 PIK3CB (0.45) PIK3CBMAPKAPK2ENTPD5PIK3CAPIK3CG
SCHEMBL10101285 0.86 PIK3CB (0.43) PIK3CBMAPKAPK2CYP19A1IDO1TRPV1
SCHEMBL10101180 0.86 PIK3CB (0.43) PIK3CBMAPKAPK2CYP19A1IDO1TRPV1
SCHEMBL10101181 0.86 PIK3CB (0.43) PIK3CBMAPKAPK2CYP19A1IDO1TRPV1
SCHEMBL10101124 0.86 TRPV1 (0.47) PIK3CBMAPKAPK2CYP19A1IDO1TRPV1

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 2718/4885CYP19A1 3981/4885

“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.