SCHEMBL22690103

SCHEMBL22690103

NC(CCO)c1cccc(C(=O)O)c1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.71
ENPEP Q07075 2/20 0.71
GRM4 Q14833 1/20 0.50
CFD P00746 1/20 0.44
TPSB2 P20231 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CA12 O43570 1/20 0.43
CA6 P23280 1/20 0.43
CASR P41180 1/20 0.43
FOLH1 Q04609 1/20 0.42
TBXA2R P21731 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMO O15229 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL22691505 1.00 ANPEP (0.71) ANPEPENPEPGRM4CFDTPSB2
SCHEMBL3807028 0.87 ANPEP (0.53) ANPEPENPEPGRM4CFDTPSB2
SCHEMBL26547500 0.86 ANPEP (0.75) ANPEPENPEPGRM4CA1CA2
SCHEMBL7615107 0.85 ANPEP (0.69) ANPEPENPEPGRM4CA1CA2
SCHEMBL7615099 0.85 ANPEP (0.69) ANPEPENPEPGRM4CA1CA2
SCHEMBL7620694 0.85 ANPEP (0.69) ANPEPENPEPGRM4CA1CA2
SCHEMBL321516 0.81 ANPEP (0.73) ANPEPENPEPGRM4CA1CA2
SCHEMBL7616448 0.81 ANPEP (0.73) ANPEPENPEPGRM4CA1CA2
SCHEMBL7612693 0.81 ANPEP (0.73) ANPEPENPEPGRM4CA1CA2
SCHEMBL7573702 0.81 ANPEP (0.73) ANPEPENPEPGRM4CA1CA2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3972589-B1 NATRIURETIC PEPTIDE RECEPTOR A AGONISTS USEFUL FOR THE TREATMENT OF CARDIOMETABOLIC DISEASES, KIDNEY DISEASE AND DIABETES MERCK SHARP & DOHME LLC (US) 2024-07-03 EP disclosed
US-20220281886-A1 NATRIURETIC PEPTIDE RECEPTOR A AGONISTS USEFUL FOR THE TREATMENT OF CARDIOMETABOLIC DISEASES, KIDNEY DISEASE AND DIABETES MERCK SHARP DOHME CORP. (US) 2022-09-08 US disclosed
EP-3972589-A1 NATRIURETIC PEPTIDE RECEPTOR A AGONISTS USEFUL FOR THE TREATMENT OF CARDIOMETABOLIC DISEASES, KIDNEY DISEASE AND DIABETES Merck Sharp & Dohme Corp. (US) 2022-03-30 EP disclosed
EP-3972590-A1 NATRIURETIC PEPTIDE RECEPTOR A AGONISTS USEFUL FOR THE TREATMENT OF CARDIOMETABOLIC DISEASES, KIDNEY DISEASE AND DIABETES Merck Sharp & Dohme Corp. (US) 2022-03-30 EP disclosed
WO-2020236688-A1 NATRIURETIC PEPTIDE RECEPTOR A AGONISTS USEFUL FOR THE TREATMENT OF CARDIOMETABOLIC DISEASES, KIDNEY DISEASE AND DIABETES MERCK SHARP & DOHME CORP. (US) 2020-11-26 WO disclosed
WO-2020236690-A1 NATRIURETIC PEPTIDE RECEPTOR A AGONISTS USEFUL FOR THE TREATMENT OF CARDIOMETABOLIC DISEASES, KIDNEY DISEASE AND DIABETES MERCK SHARP & DOHME CORP. (US) 2020-11-26 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 (1 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-20220281886-A1 NATRIURETIC PEPTIDE RECEPTOR A AGONISTS USEFUL FOR THE TREATMENT OF CARDIOMETABOLIC DISEASES, KIDNEY DISEASE AND DIABETES NPR1, NPPA, NPR3 ANPEP 116/4885ENPEP 414/4885GRM4 3031/4885

“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.