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Sugi Predict / Compounds / SCHEMBL1406097

SCHEMBL1406097

SCHEMBL1406097

CS(=O)(=O)CCC(NC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(-n2ccccc2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 18/20 0.55
▸ ALDH1A1 P00352 1/20 0.43
▸ TSHR P16473 1/20 0.43

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
SCHEMBL1405846 1.00 F10 (0.55) F10ALDH1A1TSHR
SCHEMBL1406028 0.90 F10 (0.54) F10
SCHEMBL1405985 0.90 F10 (0.54) F10
SCHEMBL5440571 0.90 F10 (0.60) F10
SCHEMBL5440576 0.90 F10 (0.60) F10
SCHEMBL3138332 0.88 F10 (0.44) F10ALDH1A1TSHR
SCHEMBL1405889 0.86 F10 (0.52) F10ALDH1A1TSHR
SCHEMBL5440274 0.86 F10 (0.59) F10
SCHEMBL1405894 0.85 F10 (0.50) F10
SCHEMBL5435174 0.85 F10 (0.50) F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598241-B2 2-[3-(4-chlorophenyl)ureido] N-[4-(2-oxo-2H-pyridin-1-yl)phenyl]-4-methanesulfonylbutyramide; prophylaxis and/or therapy of thromboembolic diseases and for the treatment of tumors MERCK PATENT GMBH (DE) 2009-10-06 — — US claimed
EP-1585730-B1 CARBOXAMIDE DERIVATIVES AND THEIR USE AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2011-03-09 — — EP disclosed
US-7598241-B2 2-[3-(4-chlorophenyl)ureido] N-[4-(2-oxo-2H-pyridin-1-yl)phenyl]-4-methanesulfonylbutyramide; prophylaxis and/or therapy of thromboembolic diseases and for the treatment of tumors MERCK PATENT GMBH (DE) 2009-10-06 — — US disclosed
US-7598241-B2 2-[3-(4-chlorophenyl)ureido] N-[4-(2-oxo-2H-pyridin-1-yl)phenyl]-4-methanesulfonylbutyramide; prophylaxis and/or therapy of thromboembolic diseases and for the treatment of tumors MERCK PATENT GMBH (DE) 2009-10-06 — — US disclosed
US-7598241-B2 2-[3-(4-chlorophenyl)ureido] N-[4-(2-oxo-2H-pyridin-1-yl)phenyl]-4-methanesulfonylbutyramide; prophylaxis and/or therapy of thromboembolic diseases and for the treatment of tumors MERCK PATENT GMBH (DE) 2009-10-06 — — US disclosed
US-20070129361-A1 LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-07 — — US disclosed
US-20060074072-A1 Carboxamide derivatives and their use as factor xa inhibitors MERCK PATENT GMBH (DE) 2006-04-06 — — 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 (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-20060074072-A1 Carboxamide derivatives and their use as factor xa inhibitors F11, F12, F10 F10 3/4885ALDH1A1 2219/4885TSHR 600/4885
US-20070129361-A1 LACTAM-CONTAINING DIAMINOALKYL, Beta-AMINOACIDS, Alpha-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS PEPD, XPNPEP1, METAP1 F10 46/4885ALDH1A1 1204/4885TSHR 3524/4885

“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.