SCHEMBL7188436

SCHEMBL7188436

Cc1c(-c2nc3c(F)c(F)cc(F)c3s2)c2ccc(-c3ccccc3)cc2n1CC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 17/20 0.57
AKR1A1 P14550 16/20 0.57
PTGDR2 Q9Y5Y4 2/20 0.41

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
SCHEMBL7517303 0.94 AKR1B1 (0.61) AKR1B1AKR1A1PTGDR2
SCHEMBL2098715 0.90 AKR1B1 (0.70) AKR1B1AKR1A1PTGDR2
SCHEMBL7186763 0.89 AKR1B1 (0.58) AKR1B1AKR1A1PTGDR2
SCHEMBL7751532 0.89 AKR1B1 (0.58) AKR1B1AKR1A1PTGDR2
Water SCHEMBL5501664 0.89 AKR1B1 (0.69) AKR1B1AKR1A1PTGDR2
SCHEMBL6140102 0.87 AKR1B1 (0.56) AKR1B1AKR1A1PTGDR2
SCHEMBL7951912 0.85 AKR1A1 (0.60) AKR1B1AKR1A1PTGDR2
SCHEMBL7754413 0.84 AKR1A1 (0.59) AKR1B1AKR1A1PTGDR2
SCHEMBL7755683 0.82 AKR1A1 (0.58) AKR1B1AKR1A1PTGDR2
SCHEMBL2098560 0.82 AKR1B1 (0.58) AKR1B1AKR1A1PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6521659-B2 3-(4,5,7-trifluorobenzothiazol-2-yl) methyl-indole-N-acetic acid, ethyl ester and benazepril, for example; reduces serum glucose and triglycerides; treating angiogenesis, hyperglycemia, hyperlipidemia and diabetes mellitus INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC 2003-02-18 US claimed
US-20010041722-A1 Compositions containing a substituted indolealkanoic acid and an angiotensin converting enzyme inhibitor ALINEA PHARMACEUTICALS, INC. 2001-11-15 US claimed
WO-2001064205-A2 COMPOSITIONS CONTAINING A SUBSTITUTED INDOLEALKANOIC ACID AND AN ANGIOTENSIN CONVERTING ENZYME INHIBITOR THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2001-09-07 WO claimed
WO-2001051489-A2 METHODS FOR LOWERING URIC ACID LEVELS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2001-07-19 WO claimed
WO-2001064205-A2 COMPOSITIONS CONTAINING A SUBSTITUTED INDOLEALKANOIC ACID AND AN ANGIOTENSIN CONVERTING ENZYME INHIBITOR THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2001-09-07 WO disclosed
EP-1066283-A2 SUBSTITUTED INDOLEALKANOIC ACIDS The Institutes for Pharmaceutical Discovery, Inc. (US) 2001-01-10 EP disclosed
WO-1999050268-A2 SUBSTITUTED INDOLEALKANOIC ACIDS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, INC. (US) 1999-10-07 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-20010041722-A1 Compositions containing a substituted indolealkanoic acid and an angiotensin converting enzyme inhibitor AGT, LIPG, ACE AKR1B1 185/4885AKR1A1 203/4885PTGDR2 1053/4885

“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.