SCHEMBL10101371

SCHEMBL10101371

C=C(c1cc(O)c2c(c1)S(=O)(=O)C[C@@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]21C)N1CCC(C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.42
MAPKAPK2 P49137 1/20 0.34
PLA2G2A P14555 1/20 0.33
CYP19A1 P11511 1/20 0.33
IDO1 P14902 2/20 0.32
TRPV1 Q8NER1 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
SCHEMBL10101181 0.91 PIK3CB (0.43) PIK3CBMAPKAPK2PLA2G2ACYP19A1IDO1
SCHEMBL10101392 0.90 PIK3CB (0.39) PIK3CBMAPKAPK2CYP19A1IDO1TRPV1
SCHEMBL10101366 0.89 PIK3CB (0.38) PIK3CBMAPKAPK2CYP19A1IDO1TRPV1
SCHEMBL10101155 0.84 PIK3CB (0.52) PIK3CBMAPKAPK2PLA2G2ACYP19A1IDO1
SCHEMBL10101285 0.83 PIK3CB (0.43) PIK3CBMAPKAPK2CYP19A1IDO1TRPV1
SCHEMBL10101332 0.82 PIK3CB (0.47) PIK3CBMAPKAPK2PLA2G2ACYP19A1IDO1
SCHEMBL10101171 0.82 PIK3CB (0.42) PIK3CBMAPKAPK2CYP19A1IDO1TRPV1
SCHEMBL10101282 0.82 PIK3CB (0.39) PIK3CBMAPKAPK2CYP19A1
SCHEMBL10101169 0.81 PIK3CB (0.41) PIK3CBMAPKAPK2CYP19A1IDO1
SCHEMBL10101369 0.80 PIK3CB (0.42) PIK3CBMAPKAPK2PLA2G2ACYP19A1IDO1

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 98/4885MAPKAPK2 2718/4885PLA2G2A 640/4885

“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.