SCHEMBL10101175

SCHEMBL10101175

COC(=O)CNC(=O)c1cc(O)c2c(c1)S(=O)(=O)C[C@@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]21C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.41
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP19A1 P11511 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
TSHR P16473 1/20 0.32
ALOX15 P16050 2/20 0.31
ALOX12 P18054 2/20 0.31
IDO1 P14902 2/20 0.31
MAPK1 P28482 1/20 0.31
GGPS1 O95749 1/20 0.31
FDPS P14324 1/20 0.31
ENTPD5 O75356 1/20 0.31
PIK3CA P42336 3/20 0.30
PIK3CG P48736 3/20 0.30
EGLN1 Q9GZT9 1/20 0.30
POLB P06746 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
SCHEMBL10101177 0.91 PIK3CB (0.44) PIK3CBMAPKAPK2ALDH1A1CYP19A1TRPV1
SCHEMBL10101180 0.88 PIK3CB (0.43) PIK3CBMAPKAPK2ALDH1A1CYP19A1TRPV1
SCHEMBL10101156 0.87 PIK3CB (0.45) PIK3CBMAPKAPK2ALDH1A1CYP19A1TRPV1
SCHEMBL10101279 0.87 PIK3CB (0.40) PIK3CBKDM4EGAAMAPKAPK2ALDH1A1
SCHEMBL10101332 0.84 PIK3CB (0.47) PIK3CBMAPKAPK2ALDH1A1CYP19A1TRPV1
SCHEMBL10101155 0.84 PIK3CB (0.52) PIK3CBMAPKAPK2ALDH1A1CYP19A1TRPV1
SCHEMBL10101369 0.83 PIK3CB (0.42) PIK3CBMAPKAPK2CYP19A1TRPV1IDO1
SCHEMBL10101388 0.82 PIK3CB (0.40) PIK3CBMAPKAPK2ALDH1A1CYP19A1TRPV1
SCHEMBL10101282 0.80 PIK3CB (0.39) PIK3CBKDM4EGAAMAPKAPK2ALDH1A1
SCHEMBL10101136 0.80 PIK3CB (0.44) PIK3CBMAPKAPK2ALDH1A1CYP19A1TRPV1

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 98/4885KDM4E 2971/4885GAA 2620/4885

“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.