SCHEMBL4413240

SCHEMBL4413240

CC(C)(C)OC(=O)NC(=N)c1ccc(NC(=O)NCC(=O)O)cc1.[NaH]

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ F7 P08709 12/20 0.44
▸ F2 P00734 6/20 0.42
▸ PTPN11 Q06124 1/20 0.40
▸ MAPKAPK2 P49137 1/20 0.40
▸ F10 P00742 2/20 0.39
▸ CTSK P43235 1/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ FPR2 P25090 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL8898242 0.99 F7 (0.45) F7F2PTPN11MAPKAPK2F10
SCHEMBL8899533 0.87 F7 (0.46) F7F2F10CA12CA1
SCHEMBL8896780 0.87 F7 (0.41) F7F2PTPN11MAPKAPK2F10
SCHEMBL4417206 0.86 PPID (0.47) F7CTSKCA12CA1CA2
SCHEMBL8382918 0.84 ATM (0.48) CTSKCA1CA2CA9HDAC1
SCHEMBL27523391 0.78 PRMT1 (0.45) F2ALDH1A1
SCHEMBL13993073 0.78 POLB (0.36) PTPN11CTSKHDAC1
SCHEMBL8898015 0.78 F7 (0.47) F7F2
SCHEMBL27994504 0.76 SMN1; SMN2 (0.50) ALDH1A1
SCHEMBL617014 0.76 MAPT (0.52) CA1CA2ALDH1A1

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-1299354-B1 FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE SANOFI AVENTIS DEUTSCHLAND (DE) 2009-07-22 — — EP disclosed
US-6743790-B2 A UREA OR THIOUREA DERIVATIVES CONTAINING AMIDE GROUP USEFUL AS ANTICOAGULANTS AND ANTIINFLAMMATORY AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-01 — — US disclosed
EP-1299354-A2 FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE Aventis Pharma Deutschland GmbH (DE) 2003-04-09 — — EP disclosed
US-20020052417-A1 Factor VIIa inhibitory (thio)urea derivatives, their preparation and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2002-05-02 — — US disclosed
WO-2001094301-A2 FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-12-13 — — WO disclosed
EP-1162194-A1 Factor VIIa inhibitory (thio)urea derivatives, their preparation and their use Aventis Pharma Deutschland GmbH (DE) 2001-12-12 — — 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-20020052417-A1 Factor VIIa inhibitory (thio)urea derivatives, their preparation and their use F7, F9, F5 F7 1/4885F2 15/4885PTPN11 1603/4885

“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.

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