SCHEMBL10101185

SCHEMBL10101185

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.45
MAPKAPK2 P49137 1/20 0.36
CYP19A1 P11511 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
IDO1 P14902 2/20 0.34
ENTPD5 O75356 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PIK3CA P42336 3/20 0.32
PIK3CG P48736 3/20 0.32
PLA2G2A P14555 1/20 0.32
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 0.31
TSHR P16473 2/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 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
SCHEMBL10101187 0.91 PIK3CB (0.41) PIK3CBMAPKAPK2TRPV1ALDH1A1KDM4E
SCHEMBL10101184 0.89 PIK3CB (0.39) PIK3CBMAPKAPK2ALDH1A1KDM4EPIK3CA
SCHEMBL10101389 0.87 PIK3CB (0.38) PIK3CBMAPKAPK2ALDH1A1KDM4EPLA2G2A
SCHEMBL10101136 0.86 PIK3CB (0.44) PIK3CBMAPKAPK2CYP19A1TRPV1IDO1
SCHEMBL10101133 0.84 PIK3CB (0.47) PIK3CBMAPKAPK2CYP19A1TRPV1IDO1
SCHEMBL10101177 0.82 PIK3CB (0.44) PIK3CBMAPKAPK2CYP19A1TRPV1IDO1
SCHEMBL10101155 0.82 PIK3CB (0.52) PIK3CBMAPKAPK2CYP19A1TRPV1IDO1
SCHEMBL10101391 0.82 PIK3CB (0.46) PIK3CBMAPKAPK2CYP19A1TRPV1IDO1
SCHEMBL10101288 0.81 PIK3CB (0.37) PIK3CBALDH1A1PIK3CAPIK3CGPLA2G2A
SCHEMBL10101124 0.81 TRPV1 (0.47) PIK3CBMAPKAPK2CYP19A1TRPV1IDO1

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 2718/4885CYP19A1 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.