SCHEMBL443824

SCHEMBL443824

O=C(O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(-c3ccccc3)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AKR1A1 P14550 20/20 1.00
AKR1B1 P15121 20/20 1.00

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
SCHEMBL445068 0.93 AKR1A1 (1.00) AKR1A1AKR1B1
SCHEMBL2099099 0.93 AKR1A1 (1.00) AKR1A1AKR1B1
Lidorestat SCHEMBL419032 0.90 AKR1A1 (1.00) AKR1A1AKR1B1
Lidorestat SCHEMBL29387869 0.90 AKR1A1 (1.00) AKR1A1AKR1B1
SCHEMBL420984 0.89 AKR1A1 (1.00) AKR1A1AKR1B1
Lidorestat SCHEMBL6103908 0.89 AKR1A1 (0.98) AKR1A1AKR1B1
SCHEMBL420815 0.87 AKR1A1 (1.00) AKR1A1AKR1B1
SCHEMBL445833 0.87 AKR1A1 (1.00) AKR1A1AKR1B1
SCHEMBL420980 0.87 AKR1A1 (1.00) AKR1A1AKR1B1
SCHEMBL419670 0.87 AKR1A1 (1.00) AKR1A1AKR1B1

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214540-A1 3-[(phenyl or benzothiazol-2-yl)methyl]indole-N-acetic acids and esters; analgesics; aldose reductase inhibitors; diabetes complications including cataracts, retinopathy, nephropathy, and neuropathy; side effect reduction THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC 2008-09-04 US claimed
US-20060074114-A1 Methods of reducing serum glucose and triglyceride levels and for inhibiting angiogenesis using substituted indolealkanoic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, INC. 2006-04-06 US claimed
US-20040235933-A1 Substituted indolealkanoic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC 2004-11-25 US claimed
EP-1066283-B1 SUBSTITUTED INDOLEALKANOIC ACIDS INST FOR PHARM DISCOVERY INC (US) 2004-06-23 EP claimed
EP-1135124-B1 ANTIHYPERTRIGLYCERIDEMIC, ANTIHYPERGLYCEMIC, ANTI-ANGIOGENIC AND WOUND HEALING SUBSTITUDED INDOLEALKANOIC ACIDS INST FOR PHARM DISCOVERY INC (US) 2004-04-28 EP claimed
US-20030216452-A1 Method of reducing serum glucose and triglyceride levels and for inhibiting angiogenesis using substitute indolealkanoic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, INC. 2003-11-20 US claimed
US-20030171405-A1 Compositions containing a substituted indolealkanoic acid and an angiotensin converting enzyme inhibitor THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY LLC., A CORPORATION OF THE STATE OF DELAWARE 2003-09-11 US claimed
US-6555568-B1 3-(4,5,7-trifluorobenzothiazol-2-yl)methyl-indole-N-acetic acid, ethyl ester for example; treating angiogenesis, hyperglycemia, hyperlipidemia and chronic complications arising from diabetes mellitus INSTITUTE FOR PHARMACEUTICAL DISCOVERY, L.L.C. 2003-04-29 US claimed
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-20030018053-A1 Substituted indolealkanoic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC. 2003-01-23 US 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 claimed
US-20010044437-A1 Methods for reducing uric acid levels INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC, THE 2001-11-22 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
US-20010016661-A1 Substituted indolealkanoic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY 2001-08-23 US claimed
US-6214991-B1 3-(4,5,7-TRIFLUOROBENZOTHIAZOL-2-YL)METHYL-INDOLE-N-ACETIC ACID, ETHYL ESTER FOR EXAMPLE; TREATING COMPLICATIONS OF DIABETES MELLITUS, SUCH AS CATARACTS, RETINOPATHY, NEPHROPATHY, AND NEUROPATHY THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, INC. 2001-04-10 US claimed
US-20120270912-A1 Substituted Indolealkanoic Acids JONES MICHAEL LEE (US) 2012-10-25 US disclosed
US-8163932-B2 Substituted indolealkanoic acids ALINEA PHARMACEUTICALS, INC. (US) 2012-04-24 US disclosed
US-20010041722-A1 Compositions containing a substituted indolealkanoic acid and an angiotensin converting enzyme inhibitor ALINEA PHARMACEUTICALS, INC. 2001-11-15 US disclosed
US-20010016661-A1 Substituted indolealkanoic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY 2001-08-23 US disclosed
US-6214991-B1 3-(4,5,7-TRIFLUOROBENZOTHIAZOL-2-YL)METHYL-INDOLE-N-ACETIC ACID, ETHYL ESTER FOR EXAMPLE; TREATING COMPLICATIONS OF DIABETES MELLITUS, SUCH AS CATARACTS, RETINOPATHY, NEPHROPATHY, AND NEUROPATHY THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, INC. 2001-04-10 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 (10 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 AKR1A1 475/4885AKR1B1 419/4885
US-20030216452-A1 Method of reducing serum glucose and triglyceride levels and for inhibiting angiogenesis using substitute indolealkanoic acids LIPG, PNLIP, LIPA AKR1A1 513/4885AKR1B1 475/4885
US-20030018053-A1 Substituted indolealkanoic acids GPR119, AANAT, AADAT AKR1A1 475/4885AKR1B1 419/4885
US-20030171405-A1 Compositions containing a substituted indolealkanoic acid and an angiotensin converting enzyme inhibitor AGT, LIPG, ACE AKR1A1 203/4885AKR1B1 185/4885
US-20010044437-A1 Methods for reducing uric acid levels XDH, LIPA, OAT AKR1A1 410/4885AKR1B1 207/4885
US-20010041722-A1 Compositions containing a substituted indolealkanoic acid and an angiotensin converting enzyme inhibitor AGT, LIPG, ACE AKR1A1 203/4885AKR1B1 185/4885
US-20120270912-A1 Substituted Indolealkanoic Acids GPR119, AANAT, AADAT AKR1A1 475/4885AKR1B1 419/4885
US-20060074114-A1 Methods of reducing serum glucose and triglyceride levels and for inhibiting angiogenesis using substituted indolealkanoic acids LIPG, PNLIP, LIPA AKR1A1 549/4885AKR1B1 499/4885
US-20040235933-A1 Substituted indolealkanoic acids GPR119, AANAT, AADAT AKR1A1 475/4885AKR1B1 419/4885
US-20080214540-A1 3-[(phenyl or benzothiazol-2-yl)methyl]indole-N-acetic acids and esters; analgesics; aldose reductase inhibitors; diabetes complications including cataracts, retinopathy, nephropathy, and neuropathy; side effect reduction AKR1C3, AKR1C2, AKR1B1 AKR1A1 6/4885AKR1B1 3/4885

“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.