SCHEMBL443595

SCHEMBL443595

Cc1ccc(C2COCCN2)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
ALDH1A1 P00352 6/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
RECQL P46063 1/20 0.41
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 2/20 0.38
PRKACA P17612 1/20 0.38
PRKACG P22612 1/20 0.38
PRKACB P22694 1/20 0.38
ABCC9 O60706 1/20 0.37
ABCC8 Q09428 1/20 0.37
KCNJ11 Q14654 1/20 0.37
KCNJ8 Q15842 1/20 0.37
MCOLN3 Q8TDD5 2/20 0.36
POLB P06746 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36

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
Hydrochloric Acid SCHEMBL20610137 0.80 ALDH1A1 (0.41) ALDH1A1LMNATDP1KMT2APRKACA
SCHEMBL20401810 0.76 ALDH1A1 (0.49) GAAALDH1A1TSHRCYP3A4RECQL
SCHEMBL14183096 0.75 GAA (0.50) GAAALDH1A1TSHRCYP3A4RECQL
SCHEMBL867235 0.74 ALDH1A1 (0.50) GAAALDH1A1TSHRCYP3A4RECQL
SCHEMBL27564899 0.74 TDP1 (0.46) GAAALDH1A1TSHRCYP3A4LMNA
SCHEMBL30912584 0.74 ALDH1A1 (0.44) GAAALDH1A1TSHRCYP3A4LMNA
SCHEMBL2756376 0.73 ALDH1A1 (0.46) GAAALDH1A1TSHRCYP3A4RECQL
SCHEMBL5058414 0.72 KMT2A (0.40) GAAALDH1A1TSHRCYP3A4LMNA
SCHEMBL5545595 0.72 MAPT (0.44) PRKACAPRKACGPRKACBMAPT
SCHEMBL27491169 0.71 DRD2 (0.47)

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 35 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-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
CN-1296485-A Substituted indolealkanoic acids INST FOR PHARM DISCOVERY INC (US) 2001-05-23 CN 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 (9 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 GAA 1223/4885ALDH1A1 338/4885TSHR 1010/4885
US-20120065203-A1 Methods of Reducing Serum Glucose and Triglyceride Levels and for Inhibiting Angiogenesis Using Substituted Indolealkanoic Acids LIPG, PNLIP, LIPA GAA 663/4885ALDH1A1 513/4885TSHR 967/4885
US-20100324039-A1 Substituted Indolealkanoic Acids GPR119, AANAT, AADAT GAA 1223/4885ALDH1A1 338/4885TSHR 1010/4885
US-20100324105-A1 Methods of Reducing Serum Glucose and Triglyceride Levels and for Inhibiting Angiogenesis Using Substituted Indolealkanoic Acids LIPG, PNLIP, LIPA GAA 663/4885ALDH1A1 513/4885TSHR 967/4885
US-20010041722-A1 Compositions containing a substituted indolealkanoic acid and an angiotensin converting enzyme inhibitor AGT, LIPG, ACE GAA 179/4885ALDH1A1 288/4885TSHR 1364/4885
US-20070093530-A1 SUBSTITUTED INDOLEALKANOIC ACIDS GPR119, AANAT, AADAT GAA 1223/4885ALDH1A1 338/4885TSHR 1010/4885
US-20100137301-A1 Substituted Indolealkanoic Acids GPR119, AANAT, AADAT GAA 1223/4885ALDH1A1 338/4885TSHR 1010/4885
US-20120270912-A1 Substituted Indolealkanoic Acids GPR119, AANAT, AADAT GAA 1223/4885ALDH1A1 338/4885TSHR 1010/4885
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 GAA 1520/4885ALDH1A1 31/4885TSHR 1026/4885

“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.