SCHEMBL3255151

SCHEMBL3255151

Cc1nc(N)c(CCS(C)(=O)=O)cc1N

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.34
TLR8 Q9NR97 2/20 0.31
PIK3CG P48736 2/20 0.31
IKBKB O14920 1/20 0.30
GLP1R P43220 1/20 0.30

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
SCHEMBL3249978 0.75 LMNA (0.40) TLR8
SCHEMBL15740547 0.70 DHFR (0.46)
SCHEMBL11715917 0.66 LMNA (0.39)
SCHEMBL29636274 0.66 LMNA (0.39)
SCHEMBL10630574 0.66 ALDH1A1 (0.40) PTGS2IKBKB
SCHEMBL25286735 0.64 NPC1 (0.35) PTGS2
SCHEMBL29393077 0.64 NPC1 (0.35) PTGS2
Hydrochloric Acid SCHEMBL9129365 0.64 LMNA (0.37)
SCHEMBL27454384 0.64 CYP3A4 (0.43)
SCHEMBL28170041 0.63 AOC1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1911756-B9 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARM INC (US) 2010-05-26 EP disclosed
EP-1911756-B1 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARM INC (US) 2009-10-21 EP disclosed
EP-1911756-A2 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto Arena Pharmaceuticals, Inc. (US) 2008-04-16 EP disclosed
CN-101115740-A Treatment of substituted pyridyl and pyrimidinyl derivatives and related diseases as metabolic modulators ARENA PHARM INC (US) 2008-01-30 CN disclosed
EP-1732562-B1 SUBSTITUTED PYRIDINYL AND PYRIMIDINYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2007-12-19 EP disclosed
US-20070078150-A1 Substituted pyrindinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2007-04-05 US disclosed
EP-1732562-A2 SUBSTITUTED PYRIDINYL AND PYRIMIDINYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2006-12-20 EP disclosed
WO-2006083491-A2 SUBSTITUTED PYRIDINYL AND PYRIMIDINYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2006-08-10 WO disclosed
US-20060155128-A1 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. 2006-07-13 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 (2 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-20070078150-A1 Substituted pyrindinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto PC, GPR119, PNPO PTGS2 1023/4885TLR8 1592/4885PIK3CG 1522/4885
US-20060155128-A1 Substituted pyridinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto PNPO, PLPBP, FPGS PTGS2 1179/4885TLR8 1564/4885PIK3CG 1350/4885

“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.