SCHEMBL805218

SCHEMBL805218

CNCc1cccc(C(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 11/20 0.59
FOLH1 Q04609 1/20 0.59
NR1H4 Q96RI1 1/20 0.57
MRGPRX4 Q96LA9 3/20 0.55
HIF1A Q16665 1/20 0.55

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
SCHEMBL30444058 1.00 MEP1B (0.59) MEP1BFOLH1NR1H4MRGPRX4HIF1A
SCHEMBL27326765 0.86 L3MBTL1 (0.57)
SCHEMBL10131961 0.85 NOS1 (0.51)
N-Benzylmethylamine SCHEMBL28452678 0.85 KDM4E (0.65) NR1H4
SCHEMBL4168117 0.84 NOS1 (0.46) MEP1BNR1H4
SCHEMBL8277397 0.84 SLC7A5 (0.59) NR1H4MRGPRX4
SCHEMBL22083793 0.84 NOS1 (0.46) MEP1BNR1H4MRGPRX4
SCHEMBL2570385 0.84 NOS1 (0.54) MEP1B
SCHEMBL16366609 0.82 MEP1B (0.65) MEP1BFOLH1NR1H4MRGPRX4HIF1A
SCHEMBL30444148 0.82 MEP1B (0.65) MEP1BFOLH1NR1H4MRGPRX4HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313703-B1 PRODRUGS TO NMDA RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2008-02-13 EP claimed
EP-1313703-A1 PRODRUGS TO NMDA RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2003-05-28 EP claimed
US-6407235-B1 A NMDA (N-METHYL-D-ASPARTATE)-RECEPTOR-SUBTYPE SELECTIVE BLOCKERS; PRODRUGS HAVE IMPROVED SOLUBILITY AND ARE HYDROLYZED IN VIVO; FOR EXAMPLE, THE 4-AMINOMETHYL-BENZOIC ACID ESTER OF THE PHENOL, OR THE PHOSPHATE ESTER HOFFMANN-LA ROCHE INC. 2002-06-18 US claimed
US-20020040037-A1 Prodrug acid esters of [2-(4-benzyl-3-hydroxy-piperidin-1-yl)-ethansulfonyl]phenol EVOTEC INTERNATIONAL GMBH (DE) 2002-04-04 US claimed
WO-2002016321-A1 PRODRUGS TO NMDA RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2002-02-28 WO claimed
EP-3998260-B1 SGC STIMULATORS CYCLERION THERAPEUTICS INC (US) 2023-11-01 EP disclosed
CN-109369635-B Compound or pharmaceutically acceptable salt thereof, application thereof and pharmaceutical composition 赛克里翁治疗有限公司 2023-06-30 CN disclosed
US-20230106002-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. 2023-04-06 US disclosed
CN-109384778-B Use of a compound or a pharmaceutically acceptable salt thereof for the manufacture of a medicament for the treatment of a disease, health condition or disorder 赛克里翁治疗有限公司 2022-12-13 CN disclosed
CN-110016020-B Compound or pharmaceutically acceptable salt thereof, application and pharmaceutical composition thereof 赛克里翁治疗有限公司 2022-07-26 CN disclosed
EP-3998260-A1 SGC STIMULATORS Cyclerion Therapeutics, Inc. (US) 2022-05-18 EP disclosed
EP-3660013-B1 SGC STIMULATORS CYCLERION THERAPEUTICS INC (US) 2022-01-19 EP disclosed
WO-1994026779-A1 PROCESSES AND INTERMEDIATE COMPOUNDS USEFUL FOR THE PREPARATION OF PLATELET GLYCOPROTEIN IIb/IIIa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-11-24 WO disclosed
EP-0625164-A1 CYCLIC COMPOUNDS USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-11-23 EP disclosed
WO-1994022911-A2 A PROCESS AND INTERMEDIATE COMPOUNDS USEFUL FOR THE PREPARATION OF PLATELET GLYCOPROTEIN IIb/IIIa INHIBITORS CONTAINING Nα-METHYLARGININE THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-13 WO disclosed
WO-1994022909-A1 NOVEL PROCESSES AND INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF PLATELET CLYCOPROTEIN IIb/IIIa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-13 WO disclosed
WO-1994022910-A1 CYCLIC COMPOUNDS USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-13 WO disclosed
WO-1994022494-A1 RADIOLABELED PLATELET GPIIb/IIIa RECEPTOR ANTAGONISTS AS IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOEMBOLIC DISORDERS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-13 WO disclosed
WO-1994011398-A1 CYCLIC COMPOUNDS LINKED BY A HETEROCYCLIC RING USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-05-26 WO disclosed
WO-1993007170-A1 CYCLIC COMPOUNDS USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-04-15 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-20230106002-A1 sGC STIMULATORS PTGIS, CGAS, GUCY1A1 MEP1B 1428/4885FOLH1 1497/4885NR1H4 2199/4885
US-20020040037-A1 Prodrug acid esters of [2-(4-benzyl-3-hydroxy-piperidin-1-yl)-ethansulfonyl]phenol HAO2, CYP2B6, CBR1 MEP1B 2341/4885FOLH1 627/4885NR1H4 350/4885

“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.