SCHEMBL10101305

SCHEMBL10101305

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.47
PIK3CB P42338 2/20 0.44
CYP19A1 P11511 2/20 0.38
ENTPD5 O75356 1/20 0.36
MAPKAPK2 P49137 1/20 0.35
PIK3CA P42336 4/20 0.34
PIK3CG P48736 4/20 0.34
IDO1 P14902 2/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
PLA2G2A P14555 1/20 0.33
NR1H4 Q96RI1 1/20 0.32
CETP P11597 1/20 0.32
PTPN2 P17706 1/20 0.31
PTPN1 P18031 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
SCHEMBL10101132 0.90 PIK3CB (0.45) TRPV1PIK3CBCYP19A1ENTPD5MAPKAPK2
SCHEMBL10101137 0.86 PIK3CB (0.42) TRPV1PIK3CBCYP19A1ENTPD5MAPKAPK2
SCHEMBL14373501 0.77 PIK3CB (0.54) TRPV1PIK3CBCYP19A1ENTPD5MAPKAPK2
SCHEMBL25761985 0.77 PIK3CB (0.54) TRPV1PIK3CBCYP19A1ENTPD5MAPKAPK2
SCHEMBL14373570 0.77 PIK3CB (0.54) TRPV1PIK3CBCYP19A1ENTPD5MAPKAPK2
SCHEMBL12234436 0.77 PIK3CB (0.54) TRPV1PIK3CBCYP19A1ENTPD5MAPKAPK2
SCHEMBL10101127 0.76 PIK3CB (0.36) TRPV1PIK3CBENTPD5PIK3CAPIK3CG
SCHEMBL10101333 0.75 TRPV1 (0.50) TRPV1PIK3CBCYP19A1ENTPD5MAPKAPK2
SCHEMBL10101121 0.74 TRPV1 (0.49) TRPV1PIK3CBCYP19A1ENTPD5MAPKAPK2
SCHEMBL10101261 0.74 PIK3CB (0.51) TRPV1PIK3CBENTPD5MAPKAPK2IDO1

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 TRPV1 3145/4885PIK3CB 98/4885CYP19A1 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.