SCHEMBL10101349

SCHEMBL10101349

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.40
TRPV1 Q8NER1 1/20 0.36
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
IDO1 P14902 2/20 0.32
ENTPD5 O75356 1/20 0.31
CYP19A1 P11511 1/20 0.30
TRPM2 O94759 1/20 0.30
PLA2G2A P14555 1/20 0.30
LTB4R Q15722 1/20 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
SCHEMBL10101163 0.89 PIK3CB (0.44) PIK3CBTRPV1ALDH1A1CYP3A4CYP2C9
SCHEMBL10101124 0.84 TRPV1 (0.47) PIK3CBTRPV1ALDH1A1CYP3A4CYP2C9
SCHEMBL10101338 0.82 PIK3CB (0.41) PIK3CBTRPV1ALDH1A1CYP3A4CYP2C9
SCHEMBL10101352 0.81 PIK3CB (0.54) PIK3CBTRPV1ALDH1A1CYP3A4CYP2C9
SCHEMBL10101343 0.79 CYP3A4 (0.37) PIK3CBTRPV1ALDH1A1CYP3A4CYP2C9
SCHEMBL10101356 0.78 PIK3CB (0.42) PIK3CBTRPV1ALDH1A1CYP3A4CYP2C9
SCHEMBL10101372 0.76 PIK3CB (0.41) PIK3CBTRPV1ALDH1A1CYP3A4CYP2C9
SCHEMBL10101363 0.76 PIK3CB (0.39) PIK3CBTRPV1ALDH1A1CYP3A4CYP2C9
SCHEMBL10101133 0.76 PIK3CB (0.47) PIK3CBTRPV1ALDH1A1CYP3A4CYP2C9
SCHEMBL10101126 0.73 PIK3CB (0.39) PIK3CBTRPV1ALDH1A1CYP3A4CYP2C9

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 3145/4885ALDH1A1 1441/4885

“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.