SCHEMBL7205581

SCHEMBL7205581

Cc1c(-c2nc3cc(C(F)(F)F)ccc3s2)c2ccccc2n1CC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 8/20 0.55
AKR1A1 P14550 5/20 0.55
PTGDR2 Q9Y5Y4 10/20 0.53
AKR1B10 O60218 1/20 0.46
GLO1 Q04760 1/20 0.46
ILK Q13418 1/20 0.45

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
SCHEMBL7755700 0.90 PTGDR2 (0.65) AKR1B1AKR1A1PTGDR2ILK
SCHEMBL7755971 0.89 PTGDR2 (0.50) AKR1B1AKR1A1PTGDR2AKR1B10GLO1
SCHEMBL7947673 0.88 AKR1B1 (0.57) AKR1B1AKR1A1PTGDR2ILK
SCHEMBL7755682 0.87 PTGDR2 (0.56) AKR1B1AKR1A1PTGDR2
SCHEMBL7754412 0.81 PTGDR2 (0.56) AKR1B1AKR1A1PTGDR2
SCHEMBL2100600 0.79 AKR1B1 (0.53) AKR1B1AKR1A1PTGDR2
SCHEMBL317185 0.78 PTGDR2 (0.66) AKR1B1PTGDR2
SCHEMBL1757704 0.75 PTGDR2 (0.66) AKR1B1AKR1A1PTGDR2AKR1B10GLO1
SCHEMBL1757098 0.74 PTGDR2 (0.66) AKR1B1AKR1A1PTGDR2AKR1B10GLO1
SCHEMBL317784 0.74 PTGDR2 (0.54) AKR1B1PTGDR2

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 6 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
US-6426344-B2 INDOLEALKANOIC ACID DERIVATIVES INHIBITS ALDOSE REDUCTASE AND USEFUL FOR TREATING CHRONIC COMPLICATION ASSOCIATED WITH DIABETES MELLITUS INCLUDING DIABETIC CATARACTS, RETINOPATHY, NEPHROPATHY AND NEUROPATHY THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY LLC 2002-07-30 US disclosed
US-20010016661-A1 Substituted indolealkanoic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY 2001-08-23 US disclosed
WO-2001051489-A2 METHODS FOR LOWERING URIC ACID LEVELS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2001-07-19 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 (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-20010016661-A1 Substituted indolealkanoic acids GPR119, AANAT, AADAT AKR1B1 419/4885AKR1A1 475/4885PTGDR2 349/4885
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.