SCHEMBL10101352

SCHEMBL10101352

Cc1cc(C(=O)O)c2c(c1)S(=O)(=O)C[C@@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]21C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.54
TRPV1 Q8NER1 1/20 0.38
MAPKAPK2 P49137 2/20 0.37
IDO1 P14902 3/20 0.34
PLA2G2A P14555 2/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2C9 P11712 2/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
PTPN2 P17706 2/20 0.34
PTPN1 P18031 2/20 0.34
ENTPD5 O75356 1/20 0.33
CYP19A1 P11511 1/20 0.32
PIK3CA P42336 2/20 0.31
PIK3CG P48736 2/20 0.31
RPS6KA5 O75582 1/20 0.31
BCL9 O00512 3/20 0.30
CTNNB1 P35222 3/20 0.30
MAPT P10636 2/20 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
SCHEMBL10101167 0.89 PIK3CB (0.54) PIK3CBTRPV1MAPKAPK2IDO1PLA2G2A
SCHEMBL10101157 0.89 PIK3CB (0.57) PIK3CBTRPV1MAPKAPK2IDO1PLA2G2A
SCHEMBL10101356 0.89 PIK3CB (0.42) PIK3CBTRPV1MAPKAPK2IDO1ALDH1A1
SCHEMBL10101355 0.88 PIK3CB (0.53) PIK3CBTRPV1MAPKAPK2IDO1PLA2G2A
SCHEMBL10101372 0.86 PIK3CB (0.41) PIK3CBTRPV1MAPKAPK2IDO1PLA2G2A
SCHEMBL10101124 0.86 TRPV1 (0.47) PIK3CBTRPV1MAPKAPK2IDO1ALDH1A1
SCHEMBL10101338 0.82 PIK3CB (0.41) PIK3CBTRPV1IDO1PLA2G2AALDH1A1
SCHEMBL10101166 0.81 PIK3CB (0.46) PIK3CBMAPKAPK2IDO1PLA2G2AALDH1A1
SCHEMBL10101155 0.81 PIK3CB (0.52) PIK3CBTRPV1MAPKAPK2IDO1PLA2G2A
SCHEMBL10101349 0.81 PIK3CB (0.40) PIK3CBTRPV1IDO1PLA2G2AALDH1A1

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 98/4885TRPV1 3145/4885MAPKAPK2 2718/4885

“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.