SCHEMBL443715

SCHEMBL443715

N#CCc1cn(CC(=O)O)c2ccc(Br)cc12

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KRAS P01116 5/20 0.59
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 1/20 0.50
AKR1A1 P14550 2/20 0.49
AKR1B1 P15121 2/20 0.49
STAT3 P40763 1/20 0.46
TBXAS1 P24557 1/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CSNK2A1 P68400 1/20 0.42
CNR2 P34972 1/20 0.40
IDO1 P14902 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL28857481 0.85 KRAS (0.54) KRASSMN1; SMN2GAAAKR1A1AKR1B1
SCHEMBL445298 0.82 AKR1A1 (0.51) KRASAKR1A1AKR1B1STAT3CNR2
SCHEMBL444328 0.81 STAT3 (0.65) GAASTAT3TBXAS1PTGDR2ALDH1A1
SCHEMBL25084322 0.77 IDO1 (0.52) SMN1; SMN2GAAAKR1A1AKR1B1CNR2
SCHEMBL7362337 0.77 AKR1A1 (0.47) SMN1; SMN2GAAAKR1A1AKR1B1STAT3
SCHEMBL22035559 0.75 KRAS (1.00) KRAS
SCHEMBL28206718 0.75 KRAS (0.44) KRASSMN1; SMN2GAAAKR1A1AKR1B1
SCHEMBL13035740 0.75 CSNK2A1 (0.48) KRASSMN1; SMN2GAACSNK2A1ALDH1A1
SCHEMBL18549620 0.74 IDO1 (0.49) SMN1; SMN2GAAAKR1A1AKR1B1CNR2
SCHEMBL17023688 0.74 CFD (0.49) SMN1; SMN2GAAAKR1A1AKR1B1CNR2

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
US-20070093530-A1 SUBSTITUTED INDOLEALKANOIC ACIDS THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC 2007-04-26 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
EP-1135124-A2 ANTIHYPERTRIGLYCERIDEMIC, ANTIHYPERGLYCEMIC, ANTI-ANGIOGENIC AND WOUND HEALING SUBSTITUDED INDOLEALKANOIC ACIDS The Institutes for Pharmaceutical Discovery, Inc. (US) 2001-09-26 EP 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
EP-1066283-A2 SUBSTITUTED INDOLEALKANOIC ACIDS The Institutes for Pharmaceutical Discovery, Inc. (US) 2001-01-10 EP disclosed
WO-2000032180-A2 ANTIHYPERTRIGLYCERIDEMIC, ANTIHYPERGLYCEMIC, ANTI-ANGIOGENIC AND WOUND HEALING SUBSTITUTED INDOLEALKANOIC ACIDS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, INC. (US) 2000-06-08 WO 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 KRAS 1934/4885SMN1; SMN2 4511/4885GAA 1223/4885
US-20120065203-A1 Methods of Reducing Serum Glucose and Triglyceride Levels and for Inhibiting Angiogenesis Using Substituted Indolealkanoic Acids LIPG, PNLIP, LIPA KRAS 3411/4885SMN1; SMN2 4795/4885GAA 663/4885
US-20100324039-A1 Substituted Indolealkanoic Acids GPR119, AANAT, AADAT KRAS 1934/4885SMN1; SMN2 4511/4885GAA 1223/4885
US-20100324105-A1 Methods of Reducing Serum Glucose and Triglyceride Levels and for Inhibiting Angiogenesis Using Substituted Indolealkanoic Acids LIPG, PNLIP, LIPA KRAS 3411/4885SMN1; SMN2 4795/4885GAA 663/4885
US-20010044437-A1 Methods for reducing uric acid levels XDH, LIPA, OAT KRAS 4740/4885SMN1; SMN2 4093/4885GAA 520/4885
US-20010041722-A1 Compositions containing a substituted indolealkanoic acid and an angiotensin converting enzyme inhibitor AGT, LIPG, ACE KRAS 1958/4885SMN1; SMN2 4813/4885GAA 179/4885
US-20070093530-A1 SUBSTITUTED INDOLEALKANOIC ACIDS GPR119, AANAT, AADAT KRAS 1934/4885SMN1; SMN2 4511/4885GAA 1223/4885
US-20100137301-A1 Substituted Indolealkanoic Acids GPR119, AANAT, AADAT KRAS 1934/4885SMN1; SMN2 4511/4885GAA 1223/4885
US-20120270912-A1 Substituted Indolealkanoic Acids GPR119, AANAT, AADAT KRAS 1934/4885SMN1; SMN2 4511/4885GAA 1223/4885
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 KRAS 3008/4885SMN1; SMN2 3343/4885GAA 1520/4885

“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.