SCHEMBL680370

SCHEMBL680370

CC(Nc1c(N)ccc2ccccc12)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.40
KCNJ11 Q14654 4/20 0.40
ALDH1A1 P00352 3/20 0.40
NCEH1 Q6PIU2 2/20 0.39
G6PD P11413 1/20 0.39
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
BBOX1 O75936 2/20 0.37
EGLN1 Q9GZT9 2/20 0.37
SMPD2 O60906 1/20 0.37
FTO Q9C0B1 1/20 0.37
ABCC9 O60706 1/20 0.37
ABCC8 Q09428 1/20 0.37
KCNJ8 Q15842 1/20 0.37
WDR5 P61964 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 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
SCHEMBL173509 0.83 TSHR (0.42) AKR1B1KCNJ11ALDH1A1G6PDUSP2
SCHEMBL11190798 0.83 TSHR (0.42) AKR1B1KCNJ11ALDH1A1G6PDUSP2
SCHEMBL7596368 0.83 TSHR (0.42) AKR1B1KCNJ11ALDH1A1G6PDUSP2
SCHEMBL1627739 0.82 KCNJ11 (0.43) AKR1B1KCNJ11ALDH1A1NCEH1G6PD
SCHEMBL1818692 0.81 ALDH1A1 (0.47) AKR1B1ALDH1A1USP2LMNAHSD17B10
SCHEMBL1818689 0.81 ALDH1A1 (0.47) AKR1B1ALDH1A1USP2LMNAHSD17B10
SCHEMBL6113114 0.81 WDR5 (0.42) AKR1B1KCNJ11ALDH1A1NCEH1G6PD
Acetic Acid SCHEMBL29643381 0.81 S1PR4 (0.40) AKR1B1KCNJ11ALDH1A1G6PDUSP2
SCHEMBL7353058 0.78 CA12 (0.44) KCNJ11ALDH1A1NCEH1G6PDHSD17B10
SCHEMBL8149658 0.77 G6PD (0.47) AKR1B1ALDH1A1G6PDHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969288-B2 Amide based glucagon and superfamily peptide prodrugs INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-03-03 US claimed
CN-102325539-A Amide based glucagon superfamily peptide prodrugs UNIV INDIANA RES & TECH CORP 2012-01-18 CN claimed
US-20110288003-A1 AMIDE BASED GLUCAGON AND SUPERFAMILY PEPTIDE PRODRUGS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2011-11-24 US claimed
EP-2376097-A1 AMIDE BASED GLUCAGON SUPERFAMILY PEPTIDE PRODRUGS Indiana University Research and Technology Corporation (US) 2011-10-19 EP claimed
WO-2010071807-A1 AMIDE BASED GLUCAGON SUPERFAMILY PEPTIDE PRODRUGS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2010-06-24 WO claimed
JP-2009529509-A 2009-08-20 JP claimed
EP-2007791-A2 MODIFIED MOLECULES WHICH PROMOTE HEMATOPOIESIS AplaGen GmbH (DE) 2008-12-31 EP claimed
WO-2007101698-A2 MODIFIED MOLECULES WHICH PROMOTE HEMATOPOIESIS APLAGEN GMBH (DE) 2007-09-13 WO claimed
CN-108137676-B gp120 neutralizing antibodies and uses thereof 美国政府(由卫生和人类服务部的部长所代表) 2022-03-15 CN disclosed
EP-2654773-B1 GLUCAGON ANALOGS EXHIBITING GIP RECEPTOR ACTIVITY UNIV INDIANA RES & TECH CORP (US) 2018-10-03 EP disclosed
US-20180105569-A1 ANALOGS OF GLUCAGON EXHIBITING GIP RECEPTOR ACTIVITY UNIV INDIANA RES & TECH CORP (US) 2018-04-19 US disclosed
EP-2864350-B1 ANALOGS OF GLUCAGON EXHIBITING GIP RECEPTOR ACTIVITY UNIV INDIANA RES & TECH CORP (US) 2018-03-28 EP disclosed
US-9868772-B2 Analogs of glucagon exhibiting GIP receptor activity INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-01-16 US disclosed
US-9587005-B2 Glucagon analogs exhibiting GIP receptor activity INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2017-03-07 US disclosed
US-20110237493-A1 DIPEPTIDE LINKED MEDICINAL AGENTS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2011-09-29 US disclosed
WO-2010080605-A1 DIPEPTIDE LINKED MEDICINAL AGENTS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2010-07-15 WO disclosed
WO-2010071807-A1 AMIDE BASED GLUCAGON SUPERFAMILY PEPTIDE PRODRUGS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2010-06-24 WO disclosed
US-20090281278-A1 MODIFIED MOLECULES WHICH PROMOTE HEMATOPOIESIS APLAGEN GMBH (DE) 2009-11-12 US disclosed
EP-2007791-A2 MODIFIED MOLECULES WHICH PROMOTE HEMATOPOIESIS AplaGen GmbH (DE) 2008-12-31 EP disclosed
WO-2007101698-A2 MODIFIED MOLECULES WHICH PROMOTE HEMATOPOIESIS APLAGEN GMBH (DE) 2007-09-13 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 (4 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-20090281278-A1 MODIFIED MOLECULES WHICH PROMOTE HEMATOPOIESIS EPOR, MPL, THPO AKR1B1 4271/4885KCNJ11 4870/4885ALDH1A1 2893/4885
US-20180105569-A1 ANALOGS OF GLUCAGON EXHIBITING GIP RECEPTOR ACTIVITY GLP1R, GIPR, GCGR AKR1B1 1504/4885KCNJ11 2766/4885ALDH1A1 4105/4885
US-20110288003-A1 AMIDE BASED GLUCAGON AND SUPERFAMILY PEPTIDE PRODRUGS GCG, GLP1R, IAPP AKR1B1 753/4885KCNJ11 4444/4885ALDH1A1 2679/4885
US-20110237493-A1 DIPEPTIDE LINKED MEDICINAL AGENTS DNPEP, PEPD, CNDP2 AKR1B1 3253/4885KCNJ11 4770/4885ALDH1A1 2146/4885

“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.