SCHEMBL10101188

SCHEMBL10101188

COc1cc(OCC(=O)N2CCOCC2)cc2c1[C@]1(C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1CS2(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 6/20 0.41
POLB P06746 1/20 0.41
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 3/20 0.38
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PDE4D Q08499 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36

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
SCHEMBL10101184 0.86 PIK3CB (0.39) KDM4EALDH1A1HSD17B10
SCHEMBL10101126 0.81 PIK3CB (0.39) MAPTALDH1A1GAA
SCHEMBL10101187 0.81 PIK3CB (0.41) KDM4EALDH1A1HSD17B10
SCHEMBL10101389 0.77 PIK3CB (0.38) KDM4EALDH1A1HSD17B10
SCHEMBL10101153 0.77 PIK3CB (0.42) ALDH1A1
SCHEMBL10101164 0.76 PIK3CB (0.45) ALDH1A1
SCHEMBL10101361 0.76 PIK3CB (0.40) TP53ALDH1A1
SCHEMBL10101186 0.76 PIK3CB (0.39) TP53MAPTKDM4EALDH1A1HPGD
SCHEMBL10101185 0.76 PIK3CB (0.45) KDM4EALDH1A1HSD17B10
SCHEMBL10101365 0.76 PIK3CB (0.39) POLBALDH1A1

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 FKBP1A 2267/4885POLB 4397/4885TP53 2431/4885

“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.