SCHEMBL6445465

SCHEMBL6445465

CC1(C)OC(=O)C(Cc2ccc(C#N)cc2)C(=O)O1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
CYP2A6 P11509 1/20 0.42
ABCB1 P08183 5/20 0.41
LOXL2 Q9Y4K0 2/20 0.40
TRPA1 O75762 1/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
MAOB P27338 1/20 0.38
DAO P14920 2/20 0.36
POLB P06746 2/20 0.36
ELANE P08246 1/20 0.36
MDM2 Q00987 1/20 0.34

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
SCHEMBL6811281 0.82 GLA (0.49) GLANPSR1ABCB1TRPA1MAOB
SCHEMBL3093178 0.82 GLA (0.58) GLANPSR1ABCB1MDM2
SCHEMBL9193771 0.80 GLA (0.69) GLANPSR1TRPA1MDM2
SCHEMBL16460894 0.79 GLA (0.67) GLANPSR1TRPA1CA12CA9
SCHEMBL15647719 0.79 GLA (0.67) GLANPSR1TRPA1CA12CA9
SCHEMBL15570301 0.79 GLA (0.67) GLANPSR1MAOBPOLBMDM2
SCHEMBL7417047 0.78 GLA (0.66) GLANPSR1ELANEMDM2
SCHEMBL16374867 0.77 GLA (0.73) GLANPSR1POLB
SCHEMBL15569868 0.76 NPSR1 (1.00) GLANPSR1
SCHEMBL15647578 0.75 GLA (0.61) GLANPSR1

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 14 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
US-6759384-B1 LOW MOLECULAR WEIGHT ANTICOAGULANTS WITHOUT SIDE EFFECTS; DERIVATIVES OF AT LEAST PROLINE, LEUCINE AND ARGININE SEQUENCE AVENTIS PHARMACEUTICALS INC. 2004-07-06 US disclosed
EP-0758341-B1 FACTOR Xa INHIBITORS AVENTIS PHARMA INC (US) 2004-03-24 EP disclosed
EP-1384725-A2 Factor Xa inhibitors Aventis Pharmaceuticals, Inc. (US) 2004-01-28 EP 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
US-5849510-A Factor Xa inhibitors SELECTIDE CORPORATION (US) 1998-12-15 US 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 GLA 318/4885NPSR1 3980/4885CYP2A6 33/4885

“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.