SCHEMBL421004

SCHEMBL421004

O=C(O)Cn1cc(Cc2nc3ccc(Cl)cc3s2)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 19/20 1.00
AKR1A1 P14550 18/20 1.00
ALOX5 P09917 1/20 0.46

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
SCHEMBL445659 0.88 AKR1A1 (1.00) AKR1B1AKR1A1
SCHEMBL421176 0.82 AKR1B1 (1.00) AKR1B1AKR1A1
SCHEMBL443331 0.79 AKR1B1 (1.00) AKR1B1AKR1A1
Lidorestat SCHEMBL5680630 0.77 AKR1A1 (0.91) AKR1B1AKR1A1
Lidorestat SCHEMBL419032 0.73 AKR1A1 (1.00) AKR1B1AKR1A1
Lidorestat SCHEMBL29387869 0.73 AKR1A1 (1.00) AKR1B1AKR1A1
Lidorestat SCHEMBL6103908 0.72 AKR1A1 (0.98) AKR1B1AKR1A1
SCHEMBL9701519 0.71 KMT2A (0.60) AKR1B1AKR1A1ALOX5
SCHEMBL10340748 0.71 AKR1B1 (0.53) AKR1B1AKR1A1
SCHEMBL445827 0.71 AKR1A1 (1.00) AKR1B1AKR1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20120270912-A1 Substituted Indolealkanoic Acids JONES MICHAEL LEE (US) 2012-10-25 US disclosed
US-20120270912-A1 Substituted Indolealkanoic Acids JONES MICHAEL LEE (US) 2012-10-25 US disclosed
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-8163932-B2 Substituted indolealkanoic acids ALINEA PHARMACEUTICALS, INC. (US) 2012-04-24 US disclosed
US-20120065203-A1 Methods of Reducing Serum Glucose and Triglyceride Levels and for Inhibiting Angiogenesis Using Substituted Indolealkanoic Acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2012-03-15 US disclosed
US-20120065203-A1 Methods of Reducing Serum Glucose and Triglyceride Levels and for Inhibiting Angiogenesis Using Substituted Indolealkanoic Acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2012-03-15 US disclosed
US-20120065203-A1 Methods of Reducing Serum Glucose and Triglyceride Levels and for Inhibiting Angiogenesis Using Substituted Indolealkanoic Acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2012-03-15 US disclosed
US-20070093530-A1 SUBSTITUTED INDOLEALKANOIC ACIDS THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC 2007-04-26 US disclosed
US-7105514-B2 Substituted indolealkanoic acids THE INSTITUTE FOR DIBETES DISCOVERY LLC (US) 2006-09-12 US disclosed
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 disclosed
US-20040235933-A1 Substituted indolealkanoic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC 2004-11-25 US disclosed
EP-1066283-B1 SUBSTITUTED INDOLEALKANOIC ACIDS INST FOR PHARM DISCOVERY INC (US) 2004-06-23 EP disclosed
US-6730794-B2 Substituted indolealkanoic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC. 2004-05-04 US disclosed
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 disclosed
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 disclosed
US-20010044437-A1 Methods for reducing uric acid levels INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC, THE 2001-11-22 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 (7 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-20120065203-A1 Methods of Reducing Serum Glucose and Triglyceride Levels and for Inhibiting Angiogenesis Using Substituted Indolealkanoic Acids LIPG, PNLIP, LIPA AKR1B1 499/4885AKR1A1 549/4885ALOX5 74/4885
US-20030171405-A1 Compositions containing a substituted indolealkanoic acid and an angiotensin converting enzyme inhibitor AGT, LIPG, ACE AKR1B1 185/4885AKR1A1 203/4885ALOX5 141/4885
US-20010044437-A1 Methods for reducing uric acid levels XDH, LIPA, OAT AKR1B1 207/4885AKR1A1 410/4885ALOX5 83/4885
US-20070093530-A1 SUBSTITUTED INDOLEALKANOIC ACIDS GPR119, AANAT, AADAT AKR1B1 419/4885AKR1A1 475/4885ALOX5 60/4885
US-20120270912-A1 Substituted Indolealkanoic Acids GPR119, AANAT, AADAT AKR1B1 419/4885AKR1A1 475/4885ALOX5 60/4885
US-20060074114-A1 Methods of reducing serum glucose and triglyceride levels and for inhibiting angiogenesis using substituted indolealkanoic acids LIPG, PNLIP, LIPA AKR1B1 499/4885AKR1A1 549/4885ALOX5 74/4885
US-20040235933-A1 Substituted indolealkanoic acids GPR119, AANAT, AADAT AKR1B1 419/4885AKR1A1 475/4885ALOX5 60/4885

“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.