SCHEMBL3525313

SCHEMBL3525313

O=C(N[C@@H](Cn1cnc(OCc2ccccc2)cc1=O)C(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.45
CTSK P43235 5/20 0.44
ITGB3 P05106 2/20 0.44
ITGAV P06756 2/20 0.44
IDO1 P14902 1/20 0.44
CASP1 P29466 4/20 0.43
CTSL P07711 2/20 0.43
CTSB P07858 2/20 0.43
CTSS P25774 2/20 0.43
TACR1 P25103 2/20 0.42
NOS1 P29475 1/20 0.42

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
SCHEMBL3525311 1.00 TYR (0.45) TYRCTSKITGB3ITGAVIDO1
SCHEMBL3522390 0.91 TACR1 (0.48) ITGB3ITGAVTACR1
SCHEMBL3522387 0.91 TACR1 (0.48) ITGB3ITGAVTACR1
SCHEMBL3520255 0.84 ACACB (0.43) TACR1
SCHEMBL3520253 0.84 ACACB (0.43) TACR1
SCHEMBL4476682 0.82 MAPK14 (0.56) TYRCTSKIDO1CASP1CTSL
SCHEMBL4476683 0.82 MAPK14 (0.56) TYRCTSKIDO1CASP1CTSL
SCHEMBL3521688 0.73 PKM (0.47)
SCHEMBL3524283 0.72 PKM (0.51)
SCHEMBL4479237 0.72 MAPK14 (0.55) TACR1

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 TYR 504/4885CTSK 2025/4885ITGB3 2752/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 TYR 929/4885CTSK 1654/4885ITGB3 2762/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 TYR 504/4885CTSK 2025/4885ITGB3 2752/4885

“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.