SCHEMBL5209631

SCHEMBL5209631

CCCc1cc(Oc2ccc(S(C)(=O)=O)cc2)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.43
SLC6A4 P31645 1/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ENPP2 Q13822 1/20 0.40
POLB P06746 1/20 0.39
ALOX5 P09917 1/20 0.38
MMP14 P50281 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 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
SCHEMBL16648400 0.84 ALOX5 (0.49) LTB4RLTB4R2ALOX5
SCHEMBL8268583 0.84 PPARG (0.42) PPARGSLC6A4ALDH1A1LMNAMAPT
SCHEMBL5209444 0.81 POLB (0.58) SLC6A4CA1CA2ALDH1A1LMNA
SCHEMBL5206395 0.80 HMGCR (0.50) PPARGLMNAPOLBALOX5
SCHEMBL2412893 0.80 LTA4H (0.47) PPARGALOX5
SCHEMBL5204151 0.80 ALOX5 (0.43) ALDH1A1MAPTLTB4RLTB4R2POLB
SCHEMBL9659641 0.80 MMP2 (0.53) CA1CA2MEN1KMT2AMMP14
SCHEMBL8637743 0.79 LTA4H (0.56) PPARGALDH1A1LMNAMEN1MAPT
SCHEMBL2410166 0.79 PPARG (0.48) PPARGLMNAMEN1MAPTKMT2A
SCHEMBL3550087 0.79 AKR1B1 (0.45) PPARGSLC6A4LMNAMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040102-B1 ARYLTHIAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2007-01-24 EP disclosed
EP-1194146-B1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2006-07-19 EP disclosed
US-6645997-B2 Agonists of peroxisome proliferator activated receptor (PPAR) alpha and/or gamma MERCK & CO., INC. 2003-11-11 US disclosed
EP-1324995-A2 BENZOPYRANCARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES AND LIPID DISORDERS Merck & Co., Inc. (US) 2003-07-09 EP disclosed
EP-1040102-A4 ARYLTHIAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2002-11-27 EP disclosed
EP-1194146-A4 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2002-07-31 EP disclosed
US-20020082292-A1 Benzopyrancarboxylic acid derivatives for the treatment of diabetes and lipid disorders MERCK SHARP & DOHME CORP. 2002-06-27 US disclosed
US-6399640-B1 ANTIDIABETIC AGENTS; ANTICHOLESTEROL AGENTS MERCK & CO., INC. 2002-06-04 US disclosed
EP-1194146-A1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES Merck & Co., Inc. (US) 2002-04-10 EP disclosed
WO-2002026729-A2 BENZOPYRANCARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES AND LIPID DISORDERS MERCK & CO., INC. (US) 2002-04-04 WO disclosed
US-6200998-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR AGONISTS; ANTICHOLESTEROL, ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK & CO., INC. 2001-03-13 US disclosed
WO-2000078312-A1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO., INC. (US) 2000-12-28 WO disclosed
EP-1040102-A1 ARYLTHIAZOLIDINEDIONE DERIVATIVES Merck & Co., Inc. (US) 2000-10-04 EP disclosed
US-6008237-A POTENT AGONISTS OF PEROXIDSOME PROLIFERATOR ACTIVATED RECEPTOR; FOR CONTROLLING OR PREVENTING OF DIABETES, HYPERGLYCEMIA, HYPERLIPIDEMIA, HYPERCHOLESTEROLEMIA, ATHEROSCLEROSIS, OBESITY, VASCULAR RESTENOSIS MERCK & CO., INC. (US) 1999-12-28 US disclosed
WO-1999032465-A1 ARYLTHIAZOLIDINEDIONE DERIVATIVES MERCK & CO., INC. (US) 1999-07-01 WO 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-20020082292-A1 Benzopyrancarboxylic acid derivatives for the treatment of diabetes and lipid disorders PPARD, PPARA, PPARG PPARG 3/4885SLC6A4 4380/4885CA1 4527/4885

“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.