SCHEMBL6440952

SCHEMBL6440952

N#Cc1ccc(C[C@H](C(=O)O)C(=O)NCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.61
SLC1A3 P43003 1/20 0.53
SLC1A2 P43004 1/20 0.53
MCL1 Q07820 1/20 0.50
MAOA P21397 1/20 0.46

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
SCHEMBL6440945 1.00 MMP8 (0.61) MMP8SLC1A3SLC1A2MCL1MAOA
SCHEMBL6440950 1.00 MMP8 (0.61) MMP8SLC1A3SLC1A2MCL1MAOA
SCHEMBL28084151 0.85 CTSC (0.56) MMP8SLC1A3SLC1A2MAOA
SCHEMBL28084147 0.85 CTSC (0.56) MMP8SLC1A3SLC1A2MAOA
Hydrochloric Acid SCHEMBL14486037 0.84 CTSC (0.54) MMP8SLC1A3SLC1A2MAOA
Hydrochloric Acid SCHEMBL14486038 0.84 CTSC (0.54) MMP8SLC1A3SLC1A2MAOA
SCHEMBL3103660 0.80 LDHA (0.52)
SCHEMBL6794672 0.80 SAE1 (0.50)
SCHEMBL5047142 0.78 SLC1A3 (0.53) SLC1A3SLC1A2MCL1MAOA
SCHEMBL5047802 0.78 SLC1A3 (0.53) SLC1A3SLC1A2MCL1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1265867-B1 MALONIC ACID DERIVATES, PROCESSES FOR THEIR PREPARATION, THEIR USE AS INHIBITOR OF FACTOR XA ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI AVENTIS DEUTSCHLAND (DE) 2005-12-28 EP disclosed
US-6794365-B2 INHIBITORS OF THE BLOOD CLOTTING ENZYME FACTOR XA; TREATING THROMBOEMBOLIC DISEASES; TRIFLUOROACETIC ACID SALT OF 2-(4-CARBAMIMIDOYL-BENZYL)-N-((1-CARBAMOYL-4-GUANIDINO-BUTYLCARBAMOYL) -CYCLOHEXYL-METHYL)-N',N'-DIMETHYL-MALONAMIDE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-21 US disclosed
EP-1265867-A1 NOVEL MALONIC ACID DERIVATES, PROCESSES FOR THEIR PREPARATION, THEIR USE AS INHIBITOR OF FACTOR XA ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma Deutschland GmbH (DE) 2002-12-18 EP disclosed
US-6395737-B1 ANTICOAGULANTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-05-28 US disclosed
US-20020022596-A1 Novel malonic acid derivatives, processes for their preparation their use and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2002-02-21 US disclosed
EP-1140878-A1 NOVEL MALONIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ( INHIBITIO OF FACTOR XA ACTIVITY ) Aventis Pharma Deutschland GmbH (DE) 2001-10-10 EP disclosed
WO-2001062735-A1 NOVEL MALONIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION, THEIR USE AS INHIBITOR OF FACTOR XA ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-08-30 WO disclosed
EP-1127884-A1 Novel malonic acid derivatives, processes for their preparation, their use as inhibitor of factor XA activity and pharmaceutical compositions containing them Aventis Pharma Deutschland GmbH (DE) 2001-08-29 EP disclosed
WO-2000040571-A1 NOVEL MALONIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM (INHIBITION OF FACTOR XA ACTIVITY) AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-07-13 WO disclosed
EP-1016663-A1 Novel malonic acid derivatives, processes for their preparation, their use and pharmaceutical compositions containing them (inhibition of factor Xa activity) Aventis Pharma Deutschland GmbH (DE) 2000-07-05 EP 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-20020022596-A1 Novel malonic acid derivatives, processes for their preparation their use and pharmaceutical compositions containing them F12, ME1, F11 MMP8 2177/4885SLC1A3 3290/4885SLC1A2 3202/4885

“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.