SCHEMBL10101149

SCHEMBL10101149

CC1(C)CCC[C@]2(C)[C@H]3CS(=O)(=O)c4cc(O)ccc4[C@]3(C)CC[C@@H]12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENTPD5 O75356 1/20 0.47
PIK3CB P42338 1/20 0.40
SOD1 P00441 1/20 0.39
NR1H2 P55055 4/20 0.38
NR1H3 Q13133 4/20 0.38
CYP3A4 P08684 2/20 0.37
USP2 O75604 2/20 0.37
HSP90AA1 P07900 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPKAPK2 P49137 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
RPS6KA5 O75582 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
SCHEMBL10101343 0.87 CYP3A4 (0.37) ENTPD5PIK3CBCYP3A4USP2HSP90AA1
SCHEMBL10101133 0.81 PIK3CB (0.47) ENTPD5PIK3CBCYP3A4MAPKAPK2ALDH1A1
SCHEMBL10101163 0.80 PIK3CB (0.44) ENTPD5PIK3CBCYP3A4USP2MAPKAPK2
SCHEMBL10101153 0.78 PIK3CB (0.42) ENTPD5PIK3CBCYP3A4ALDH1A1CYP2C9
SCHEMBL10101157 0.78 PIK3CB (0.57) ENTPD5PIK3CBCYP3A4USP2KDM4E
SCHEMBL10101152 0.78 PIK3CB (0.46) ENTPD5PIK3CBCYP3A4MAPKAPK2ALDH1A1
SCHEMBL10101160 0.78 PIK3CB (0.42) ENTPD5PIK3CBSOD1CYP3A4USP2
SCHEMBL10101357 0.77 PIK3CB (0.40) ENTPD5PIK3CBCYP3A4USP2HSP90AA1
SCHEMBL12234042 0.77 ENTPD5 (0.63) ENTPD5PIK3CBSOD1NR1H2NR1H3
SCHEMBL12234038 0.77 ENTPD5 (0.63) ENTPD5PIK3CBSOD1NR1H2NR1H3

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 3 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-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 ENTPD5 750/4885PIK3CB 98/4885SOD1 3012/4885

“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.