SCHEMBL6504378

SCHEMBL6504378

CCc1nc(C(=O)NCCc2cc(CC(OC(C)C)C(=O)O)ccc2OC)c(C)s1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 8/20 0.40
PPARA Q07869 8/20 0.40
PPARG P37231 4/20 0.40
NAMPT P43490 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 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
SCHEMBL6497351 0.89 POLB (0.43) PPARDPPARAPPARGNAMPTLMNA
SCHEMBL6504374 0.84 OPRK1 (0.36) PPARDPPARAPPARGNAMPTLMNA
SCHEMBL6527212 0.80 PPARA (0.45) PPARDPPARAPPARG
SCHEMBL6498808 0.79 PPARA (0.44) PPARDPPARAPPARG
SCHEMBL6502670 0.78 PPARA (0.42) PPARDPPARAPPARG
SCHEMBL6505343 0.78 POLB (0.44) PPARDPPARAPPARGLMNATP53
SCHEMBL6528332 0.77 PPARA (0.43) PPARDPPARAPPARG
SCHEMBL6496490 0.77 POLB (0.65) LMNASMN1; SMN2TP53MAPTPOLB
SCHEMBL6503794 0.77 PPARA (0.46) PPARDPPARAPPARG
SCHEMBL6505813 0.76 PPARA (0.43) PPARDPPARAPPARGLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6509507-B2 Reacting a 6-membered aromatic ring with 1,4- position ester or benzylic OH groups with a second aromatic in a palladium catalyzed cross-coupling; electroluminescence AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 2003-01-21 US claimed
US-20020087030-A1 Polymerizable biaryls, process for their preparation and their use MERCK PATENT GMBH (DE) 2002-07-04 US claimed
EP-0944569-B1 POLYMERIZABLE BIARYLS, METHOD FOR THE PRODUCTION AND USE THEREOF CELANESE VENTURES GMBH (DE) 2002-04-10 EP claimed
US-6323373-B1 USED TO OBTAIN POLYMERS WHICH ARE USED AS ELECTROLUMINESCENCE MATERIALS AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 2001-11-27 US claimed
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
US-6872740-B2 Use of 2-amino-4-heteroarylethyl-thiazoline derivatives as inhibitors of inducible no-synthase AVENTIS PHARMA S.A. (FR) 2005-03-29 US disclosed
US-20030225140-A1 4-(heteroarylethyl)-4,5-dihydro-1,3-thiazol-2-ylamine or salt, useful for treating an illness, which involves an abnormal production of nitric oxide (NO) by induction of an inducible NO-synthase AVENTIS PHARMA S.A. (FR) 2003-12-04 US disclosed
US-6509507-B2 Reacting a 6-membered aromatic ring with 1,4- position ester or benzylic OH groups with a second aromatic in a palladium catalyzed cross-coupling; electroluminescence AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 2003-01-21 US disclosed
US-20020087030-A1 Polymerizable biaryls, process for their preparation and their use MERCK PATENT GMBH (DE) 2002-07-04 US disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed
US-6323373-B1 USED TO OBTAIN POLYMERS WHICH ARE USED AS ELECTROLUMINESCENCE MATERIALS AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 2001-11-27 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-20030225140-A1 4-(heteroarylethyl)-4,5-dihydro-1,3-thiazol-2-ylamine or salt, useful for treating an illness, which involves an abnormal production of nitric oxide (NO) by induction of an inducible NO-synthase PTGS1, PTGIS, NOS1 PPARD 2136/4885PPARA 1611/4885PPARG 1483/4885
US-20020087030-A1 Polymerizable biaryls, process for their preparation and their use PAH, TYR, PAICS PPARD 1926/4885PPARA 1040/4885PPARG 1536/4885

“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.