SCHEMBL10101282

SCHEMBL10101282

COC(=O)C1CCN(C(=O)c2cc(O)c3c(c2)S(=O)(=O)C[C@@H]2[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@@]32C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.39
TSHR P16473 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
RAB9A P51151 4/20 0.33
NPC1 O15118 3/20 0.33
HSP90AA1 P07900 1/20 0.33
KMT2A Q03164 1/20 0.33
PDK2 Q15119 1/20 0.33
CYP19A1 P11511 1/20 0.32
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPKAPK2 P49137 1/20 0.32

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) PIK3CBCYP19A1ALDH1A1GAAMAPKAPK2
SCHEMBL10101285 0.89 PIK3CB (0.43) PIK3CBTSHRCYP3A4CYP2C9CYP19A1
SCHEMBL10101171 0.89 PIK3CB (0.42) PIK3CBKMT2ACYP19A1GAAMAPKAPK2
SCHEMBL10101169 0.87 PIK3CB (0.41) PIK3CBHSP90AA1KMT2ACYP19A1ALDH1A1
SCHEMBL10101180 0.82 PIK3CB (0.43) PIK3CBTSHRCYP3A4CYP2C9CYP19A1
SCHEMBL10101371 0.82 PIK3CB (0.42) PIK3CBCYP19A1MAPKAPK2
SCHEMBL10101332 0.82 PIK3CB (0.47) PIK3CBTSHRCYP3A4CYP2C9CYP19A1
SCHEMBL10101155 0.82 PIK3CB (0.52) PIK3CBTSHRCYP3A4CYP2C9CYP19A1
SCHEMBL10101156 0.81 PIK3CB (0.45) PIK3CBTSHRCYP3A4CYP2C9CYP19A1
SCHEMBL10101175 0.80 PIK3CB (0.41) PIK3CBTSHRCYP19A1ALDH1A1KDM4E

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 98/4885TSHR 1013/4885CYP1A2 4602/4885

“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.