SCHEMBL3520255

SCHEMBL3520255

COC(=O)[C@H](Cn1cnc(OCc2ccccc2)cc1=O)NC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.43
TACR1 P25103 1/20 0.41
PPARG P37231 1/20 0.40
ACACA Q13085 3/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CACNA1C Q13936 1/20 0.39
SCN9A Q15858 1/20 0.39
CA9 Q16790 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL3520253 1.00 ACACB (0.43) ACACBTACR1PPARGACACACA12
SCHEMBL3522390 0.94 TACR1 (0.48) ACACBTACR1ACACAPKMALDH1A1
SCHEMBL3522387 0.94 TACR1 (0.48) ACACBTACR1ACACAPKMALDH1A1
SCHEMBL3525313 0.84 TYR (0.45) TACR1
SCHEMBL3525311 0.84 TYR (0.45) TACR1
SCHEMBL4470531 0.82 MAPK14 (0.55) ACACBPPARG
SCHEMBL4470529 0.82 MAPK14 (0.55) ACACBPPARG
SCHEMBL3521688 0.77 PKM (0.47) PKMALDH1A1HPGD
SCHEMBL4479237 0.76 MAPK14 (0.55) ACACBTACR1
SCHEMBL4479241 0.76 MAPK14 (0.55) ACACBTACR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795271-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2010-09-14 US disclosed
US-20090306108-A1 SUBSTITUTED PYRIMIDINONES PFIZER INC 2009-12-10 US disclosed
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES PHARMACIA CORPORATION (US) 2007-07-19 US disclosed
US-7183287-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2007-02-27 US disclosed
US-20040242608-A1 Substituted pyrimidinones PHARMACIA LLC 2004-12-02 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 (3 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-20090306108-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 ACACB 3854/4885TACR1 1023/4885PPARG 1440/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 ACACB 3747/4885TACR1 1323/4885PPARG 1684/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 ACACB 3854/4885TACR1 1023/4885PPARG 1440/4885

“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.