SCHEMBL10101160

SCHEMBL10101160

CNC(=O)c1cc2c(cc1O)S(=O)(=O)C[C@@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]21C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.42
TRPV1 Q8NER1 1/20 0.34
MAPKAPK2 P49137 2/20 0.34
ENTPD5 O75356 1/20 0.33
IDO1 P14902 2/20 0.33
CYP3A4 P08684 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
EPAS1 Q99814 1/20 0.32
FDPS P14324 1/20 0.32
PTPN2 P17706 2/20 0.31
PTPN1 P18031 2/20 0.31
RPS6KA5 O75582 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CG P48736 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
SCHEMBL10101357 0.89 PIK3CB (0.40) PIK3CBTRPV1MAPKAPK2ENTPD5IDO1
SCHEMBL10101159 0.82 PIK3CB (0.45) PIK3CBTRPV1MAPKAPK2ENTPD5IDO1
SCHEMBL10101168 0.80 PIK3CB (0.42) PIK3CBTRPV1MAPKAPK2ENTPD5IDO1
SCHEMBL10101356 0.80 PIK3CB (0.42) PIK3CBTRPV1MAPKAPK2ENTPD5IDO1
SCHEMBL10101156 0.80 PIK3CB (0.45) PIK3CBTRPV1MAPKAPK2ENTPD5IDO1
SCHEMBL10101149 0.78 ENTPD5 (0.47) PIK3CBTRPV1MAPKAPK2ENTPD5IDO1
SCHEMBL10101354 0.76 PIK3CB (0.39) PIK3CBTRPV1MAPKAPK2PTPN2PTPN1
SCHEMBL10101343 0.74 CYP3A4 (0.37) PIK3CBTRPV1MAPKAPK2ENTPD5IDO1
SCHEMBL10101165 0.74 PIK3CB (0.39) PIK3CBMAPKAPK2CYP3A4ALDH1A1CYP2C9
SCHEMBL10101133 0.73 PIK3CB (0.47) PIK3CBTRPV1MAPKAPK2ENTPD5IDO1

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 98/4885TRPV1 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.