SCHEMBL4847678

SCHEMBL4847678

Cc1c(F)cc(-c2ccc(CNCC(=O)OC(C)(C)C)cc2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GYS1 P13807 1/20 0.37
▸ S1PR1 P21453 1/20 0.36
▸ GRM2 Q14416 1/20 0.36
▸ MIF P14174 1/20 0.35
▸ PDCD1 Q15116 3/20 0.35
▸ CD274 Q9NZQ7 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PTPRC P08575 2/20 0.34
▸ VSIR Q9H7M9 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ GNRHR P30968 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ CCNT1 O60563 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
SCHEMBL5642194 0.79 PARP1 (0.37) S1PR1GRM2PDCD1CD274CYP2C9
SCHEMBL14205020 0.77 KMT2A (0.46) S1PR1ALDH1A1LMNACYP2C9CYP3A4
Tert-Butylamine SCHEMBL3542895 0.76 CD274 (0.38) PDCD1CD274LMNAVSIRCYP2C9
SCHEMBL4716383 0.75 S1PR1 (0.46) S1PR1MAPK14
SCHEMBL4713265 0.74 CD274 (0.42) PDCD1CD274VSIR
SCHEMBL8421187 0.74 VSIR (0.44) S1PR1MIFLMNAVSIR
SCHEMBL15876277 0.74 MTNR1A (0.42) S1PR1LMNAPTPRCVSIR
SCHEMBL13662612 0.74 ATM (0.44) S1PR1LMNAVSIR
SCHEMBL1227911 0.73 GAA (0.53) S1PR1ALDH1A1LMNACYP2C9CYP3A4
SCHEMBL6140645 0.73 S1PR1 (0.40) S1PR1LMNAPTPRCVSIR

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-7462620-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM, PLC (GB) 2008-12-09 — — US disclosed
US-7169924-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 2007-01-30 — — US disclosed
US-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis ELLIOTT RICHARD L 2006-10-26 — — 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-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis PLA2G7, PLA2G1B, PLA2G4B GYS1 2976/4885S1PR1 148/4885GRM2 1752/4885

“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.

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