SCHEMBL445298

SCHEMBL445298

N#CCc1cn(CC(=O)O)c2ccc(-c3ccccc3)cc12

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKR1A1 P14550 2/20 0.51
AKR1B1 P15121 2/20 0.51
STAT3 P40763 1/20 0.50
ICMT O60725 7/20 0.47
CNR2 P34972 5/20 0.44
CNR1 P21554 4/20 0.44
KRAS P01116 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL444328 0.84 STAT3 (0.65) STAT3ALDH1A1
SCHEMBL443715 0.82 KRAS (0.59) AKR1A1AKR1B1STAT3CNR2KRAS
SCHEMBL8172388 0.74 AKR1A1 (0.54) AKR1A1AKR1B1ICMTALDH1A1
SCHEMBL7683025 0.72 ICMT (0.68) ICMTCNR2ALDH1A1
SCHEMBL27751729 0.71 ICMT (0.56) AKR1A1AKR1B1ICMT
SCHEMBL20329497 0.71 ICMT (0.49) STAT3ICMTCNR2CNR1KRAS
SCHEMBL260786 0.69 STAT3 (0.46) STAT3ALDH1A1
SCHEMBL28247078 0.69 PRMT5 (0.48) STAT3ICMTALDH1A1
SCHEMBL3861564 0.69 ICMT (0.61) AKR1A1AKR1B1ICMT
SCHEMBL28857481 0.68 KRAS (0.54) AKR1A1AKR1B1CNR2CNR1KRAS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730794-B2 Substituted indolealkanoic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC. 2004-05-04 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-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
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-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
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
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

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 419/4885STAT3 2951/4885
US-20120065203-A1 Methods of Reducing Serum Glucose and Triglyceride Levels and for Inhibiting Angiogenesis Using Substituted Indolealkanoic Acids LIPG, PNLIP, LIPA AKR1A1 549/4885AKR1B1 499/4885STAT3 1635/4885
US-20100324039-A1 Substituted Indolealkanoic Acids GPR119, AANAT, AADAT AKR1A1 475/4885AKR1B1 419/4885STAT3 2951/4885
US-20030018053-A1 Substituted indolealkanoic acids GPR119, AANAT, AADAT AKR1A1 475/4885AKR1B1 419/4885STAT3 2951/4885
US-20100324105-A1 Methods of Reducing Serum Glucose and Triglyceride Levels and for Inhibiting Angiogenesis Using Substituted Indolealkanoic Acids LIPG, PNLIP, LIPA AKR1A1 549/4885AKR1B1 499/4885STAT3 1635/4885
US-20010044437-A1 Methods for reducing uric acid levels XDH, LIPA, OAT AKR1A1 410/4885AKR1B1 207/4885STAT3 4151/4885
US-20010041722-A1 Compositions containing a substituted indolealkanoic acid and an angiotensin converting enzyme inhibitor AGT, LIPG, ACE AKR1A1 203/4885AKR1B1 185/4885STAT3 2428/4885
US-20100137301-A1 Substituted Indolealkanoic Acids GPR119, AANAT, AADAT AKR1A1 475/4885AKR1B1 419/4885STAT3 2951/4885
US-20120270912-A1 Substituted Indolealkanoic Acids GPR119, AANAT, AADAT AKR1A1 475/4885AKR1B1 419/4885STAT3 2951/4885
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 3/4885STAT3 4268/4885

“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.