SCHEMBL10101159

SCHEMBL10101159

CNC(=O)c1cc(O)cc2c1[C@]1(C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1CS2(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.45
ENTPD5 O75356 1/20 0.35
FDPS P14324 1/20 0.33
CYP19A1 P11511 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
PIK3CA P42336 4/20 0.31
PIK3CG P48736 4/20 0.31
IDO1 P14902 3/20 0.31
PTPN1 P18031 2/20 0.31
PTPN2 P17706 1/20 0.31
EPAS1 Q99814 2/20 0.30
HIF1A Q16665 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 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
SCHEMBL10101356 0.90 PIK3CB (0.42) PIK3CBENTPD5FDPSCYP19A1TRPV1
SCHEMBL10101168 0.90 PIK3CB (0.42) PIK3CBENTPD5FDPSCYP19A1TRPV1
SCHEMBL10101179 0.89 PIK3CB (0.43) PIK3CBENTPD5FDPSCYP19A1TRPV1
SCHEMBL10101157 0.89 PIK3CB (0.57) PIK3CBENTPD5FDPSCYP19A1TRPV1
SCHEMBL10101390 0.88 PIK3CB (0.41) PIK3CBENTPD5CYP19A1TRPV1MAPKAPK2
SCHEMBL10101172 0.88 PIK3CB (0.43) PIK3CBENTPD5CYP19A1TRPV1MAPKAPK2
SCHEMBL10101279 0.86 PIK3CB (0.40) PIK3CBENTPD5FDPSTRPV1ALDH1A1
SCHEMBL10101354 0.86 PIK3CB (0.39) PIK3CBTRPV1MAPKAPK2PTPN1PTPN2
SCHEMBL10101133 0.84 PIK3CB (0.47) PIK3CBENTPD5CYP19A1TRPV1ALDH1A1
SCHEMBL10101156 0.84 PIK3CB (0.45) PIK3CBENTPD5FDPSCYP19A1TRPV1

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 98/4885ENTPD5 750/4885FDPS 4474/4885

“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.