SCHEMBL444328

SCHEMBL444328

N#CCc1cn(CC(=O)O)c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.65
ALDH1A1 P00352 4/20 0.55
TBXAS1 P24557 1/20 0.54
KMT2A Q03164 4/20 0.54
KDM4E B2RXH2 4/20 0.51
MCL1 Q07820 1/20 0.51
MAPT P10636 3/20 0.49
PTGDR2 Q9Y5Y4 3/20 0.49
MEN1 O00255 2/20 0.49
ALOX5 P09917 1/20 0.48
GFER P55789 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL445298 0.84 AKR1A1 (0.51) STAT3ALDH1A1
SCHEMBL28247078 0.84 PRMT5 (0.48) STAT3ALDH1A1TBXAS1KMT2AMAPT
SCHEMBL1520240 0.83 TBXAS1 (0.64) STAT3ALDH1A1TBXAS1KMT2AKDM4E
SCHEMBL12874520 0.81 KMT2A (0.66) STAT3ALDH1A1TBXAS1KMT2AKDM4E
SCHEMBL18180209 0.81 CDC25A (0.63) STAT3ALDH1A1TBXAS1KMT2AKDM4E
SCHEMBL419619 0.81 MAPT (0.70) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL443715 0.81 KRAS (0.59) STAT3ALDH1A1TBXAS1PTGDR2GAA
SCHEMBL6567317 0.80 ALDH1A1 (0.58) STAT3ALDH1A1TBXAS1KMT2AKDM4E
SCHEMBL8021536 0.79 MCL1 (0.60) STAT3ALDH1A1TBXAS1KMT2AKDM4E
SCHEMBL9701519 0.79 KMT2A (0.60) STAT3ALDH1A1TBXAS1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20100324105-A1 Methods of Reducing Serum Glucose and Triglyceride Levels and for Inhibiting Angiogenesis Using Substituted Indolealkanoic Acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC 2010-12-23 US disclosed
US-20100324039-A1 Substituted Indolealkanoic Acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC 2010-12-23 US disclosed
US-20100137301-A1 Substituted Indolealkanoic Acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC 2010-06-03 US disclosed
US-7659269-B2 Substituted indolealkanoic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2010-02-09 US disclosed
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 disclosed
US-7304079-B2 Preparing 3-benzothiazolylalkyl-1-indolylacetic acids and esters by cyclizing a 3-(anilinothiocarbonylalkyl)-1-indolylacetic ester with potassium ferricyanide or sodium hydride, optionally deprotecting the acid group; aldose reductase inhibitors for diabetic complications; side effect reduction THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2007-12-04 US disclosed
EP-1539175-A4 SUBSTITUTED INDOLEALKANOIC ACIDS DERIVATIVE AND FORMULATIONS CONTAINING SAME FOR USE IN TREATMENT OF DIABETIC COMPLICATIONS INST FOR PHARM DISCOVERY INC (US) 2007-09-26 EP disclosed
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 disclosed
US-20030018053-A1 Substituted indolealkanoic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC. 2003-01-23 US disclosed
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-20010044437-A1 Methods for reducing uric acid levels INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC, THE 2001-11-22 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
WO-2001051489-A2 METHODS FOR LOWERING URIC ACID LEVELS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2001-07-19 WO 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
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 (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 STAT3 2951/4885ALDH1A1 338/4885TBXAS1 571/4885
US-20120065203-A1 Methods of Reducing Serum Glucose and Triglyceride Levels and for Inhibiting Angiogenesis Using Substituted Indolealkanoic Acids LIPG, PNLIP, LIPA STAT3 1635/4885ALDH1A1 513/4885TBXAS1 148/4885
US-20100324039-A1 Substituted Indolealkanoic Acids GPR119, AANAT, AADAT STAT3 2951/4885ALDH1A1 338/4885TBXAS1 571/4885
US-20030018053-A1 Substituted indolealkanoic acids GPR119, AANAT, AADAT STAT3 2951/4885ALDH1A1 338/4885TBXAS1 571/4885
US-20100324105-A1 Methods of Reducing Serum Glucose and Triglyceride Levels and for Inhibiting Angiogenesis Using Substituted Indolealkanoic Acids LIPG, PNLIP, LIPA STAT3 1635/4885ALDH1A1 513/4885TBXAS1 148/4885
US-20010044437-A1 Methods for reducing uric acid levels XDH, LIPA, OAT STAT3 4151/4885ALDH1A1 149/4885TBXAS1 1665/4885
US-20010041722-A1 Compositions containing a substituted indolealkanoic acid and an angiotensin converting enzyme inhibitor AGT, LIPG, ACE STAT3 2428/4885ALDH1A1 288/4885TBXAS1 491/4885
US-20100137301-A1 Substituted Indolealkanoic Acids GPR119, AANAT, AADAT STAT3 2951/4885ALDH1A1 338/4885TBXAS1 571/4885
US-20120270912-A1 Substituted Indolealkanoic Acids GPR119, AANAT, AADAT STAT3 2951/4885ALDH1A1 338/4885TBXAS1 571/4885
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 STAT3 4268/4885ALDH1A1 31/4885TBXAS1 2499/4885

“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.