SCHEMBL10101385

SCHEMBL10101385

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FKBP1A P62942 3/20 0.39
HTT P42858 1/20 0.37
KMT2A Q03164 6/20 0.35
POLB P06746 1/20 0.34
MEN1 O00255 2/20 0.34
PDE4D Q08499 2/20 0.34
OPRD1 P41143 1/20 0.34
PCNA P12004 1/20 0.33
PIK3CB P42338 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33

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
SCHEMBL10101383 0.86 PIK3CB (0.39) PIK3CBALOX15ALOX12
SCHEMBL10101188 0.86 FKBP1A (0.41) KDM4EALDH1A1HPGDHSD17B10FKBP1A
SCHEMBL10101153 0.77 PIK3CB (0.42) ALDH1A1PIK3CBALOX15ALOX12
SCHEMBL10101164 0.76 PIK3CB (0.45) ALDH1A1KMT2APIK3CBALOX15ALOX12
SCHEMBL10101361 0.76 PIK3CB (0.40) ALDH1A1PIK3CBALOX15ALOX12
SCHEMBL10101186 0.76 PIK3CB (0.39) KDM4EALDH1A1HPGDCASP1CASP7
SCHEMBL10101338 0.76 PIK3CB (0.41) ALDH1A1PIK3CBALOX15ALOX12
SCHEMBL10101126 0.76 PIK3CB (0.39) ALDH1A1KMT2AMEN1PIK3CBALOX15
SCHEMBL10101365 0.76 PIK3CB (0.39) ALDH1A1POLBPIK3CBALOX15ALOX12
SCHEMBL10101249 0.75 PIK3CB (0.40) ALDH1A1PIK3CBALOX15ALOX12

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 KDM4E 2971/4885ALDH1A1 1441/4885HPGD 4705/4885

“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.