SCHEMBL2589504

SCHEMBL2589504

NC(=CC(=O)O)CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LDHA P00338 1/20 0.42
SRR Q9GZT4 1/20 0.42
ALOX15 P16050 2/20 0.36
HSD17B10 Q99714 1/20 0.36
GLRA1 P23415 1/20 0.33
SLC6A9 P48067 1/20 0.33
OR51E2 Q9H255 1/20 0.33
CPB1 P15086 1/20 0.32
ACHE P22303 1/20 0.32
GABRR1 P24046 2/20 0.31
GABRR2 P28476 2/20 0.31
BLM P54132 2/20 0.31
GABRR3 A8MPY1 1/20 0.31
LMNA P02545 1/20 0.31
APEX1 P27695 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL2589501 1.00 TSHR (0.50) TSHRKDM4ELDHASRRALOX15
SCHEMBL2589498 1.00 TSHR (0.50) TSHRKDM4ELDHASRRALOX15
SCHEMBL14401053 0.79 LDHA (0.38) TSHRKDM4ELDHASRRALOX15
SCHEMBL24665772 0.74
SCHEMBL12914531 0.74
SCHEMBL8367800 0.74
SCHEMBL14564635 0.72
SCHEMBL20954529 0.72
Iodide SCHEMBL7454681 0.72 GLRA1 (0.40) TSHRKDM4EGLRA1SLC6A9OR51E2
SCHEMBL3403766 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117820190-A Synthesis method of 4, 6-dichloro-1H-pyrrolo [3,2-c ] pyridine and intermediate thereof 上海已铼生物科技有限公司 2024-04-05 CN disclosed
EP-2563122-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2016-06-08 EP disclosed
US-9040518-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2015-05-26 US disclosed
EP-2563122-A1 CHEMICAL COMPOUNDS Glaxosmithkline LLC (US) 2013-03-06 EP disclosed
US-20130029938-A1 Chemical Compounds GLAXOSMITHKLINE LLC (US) 2013-01-31 US disclosed
WO-2011137135-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-11-03 WO disclosed
US-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 US disclosed
EP-1678138-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV Takeda Pharmaceutical Company Limited (JP) 2006-07-12 EP disclosed
WO-2005042488-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 WO disclosed
EP-0882044-B1 1,4-DIHYDROPYRIDINE COMPOUNDS AS BRADYKININ ANTAGONISTS PFIZER (US) 2002-07-17 EP disclosed
EP-0777653-B1 DIHYGROPYRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS PFIZER (US) 2001-08-22 EP disclosed
US-6131226-A 2-SUBSTITUTED,3,5-BIS(METHOXYCARBONYL),4-(2,6-DIHALOPHENYL), 6-(1-((SUBSTITUTED)RING)PIPERAZIN-1,4-YLENE-CARBONYLMETHYL)-1, 4-DIHYDROPYRIDINES; FOR TREATING INFLAMMATION, PAIN, VIRAL INFECTIONS, CARDIOVASCULAR DISEASE, ALLERGIES, ASTHMA PFIZER INC. (US) 2000-10-17 US disclosed
US-5861402-A BRADYKININ ANTAGONISTS USEFUL FOR THE TREATMENT OF INFLAMMATION, CARDIOVASCULAR DISEASE, PAIN, COMMON COLD, ALLERGIES, ASTHMA, PANCREATITIS, BURNS, VIRUS INFECTION, HEAD INJURY, MULTIPLE TRAUMA PFIZER PHARMACEUTICALS, INC. (JP) 1999-01-19 US disclosed
US-5859011-A Dihydropyridine derivatives as bradykinin antagonist PFIZER INC. (US) 1999-01-12 US disclosed
EP-0882044-A1 1,4-DIHYDROPYRIDINE COMPOUNDS AS BRADYKININ ANTAGONISTS PFIZER INC. (US) 1998-12-09 EP disclosed
WO-1997030048-A1 1,4-DIHYDROPYRIDINE COMPOUNDS AS BRADYKININ ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 1997-08-21 WO disclosed
EP-0790239-A1 Novel 4-phenyl-2-(piperazinyl/perhydrodiazepinyl/aminoalkyl)carbonylmethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid derivatives as bradykinin receptor antagonists PFIZER INC. (US) 1997-08-20 EP disclosed
EP-0777653-A1 DIHYGROPYRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS PFIZER INC. (US) 1997-06-11 EP disclosed
WO-1996006083-A1 2-(PIPERAZINYL-1-CARBONYLMETHYL)-1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 1996-02-29 WO disclosed
WO-1996006082-A1 DIHYDROPYRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS PFIZER INC. (US) 1996-02-29 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 (2 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-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV DPP4, DPP3, PEPD TSHR 1907/4885KDM4E 569/4885LDHA 1203/4885
US-20130029938-A1 Chemical Compounds CYP11B1, GOT2, CYP11B2 TSHR 2296/4885KDM4E 3520/4885LDHA 446/4885

“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.