SCHEMBL4426386

SCHEMBL4426386

N=C(N)c1ccc(NC(=O)NCC(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F7 P08709 13/20 0.64
▸ F2 P00734 6/20 0.61
▸ PRSS1 P07477 1/20 0.59
▸ PRSS2 P07478 1/20 0.59
▸ PRSS3 P35030 1/20 0.59
▸ TMPRSS6 Q8IU80 1/20 0.59
▸ ST14 Q9Y5Y6 1/20 0.59
▸ ITGB3 P05106 1/20 0.57
▸ ITGA2B P08514 1/20 0.57
▸ F10 P00742 3/20 0.56

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
SCHEMBL4553738 0.82 F2 (0.77) F7F2PRSS1PRSS2PRSS3
SCHEMBL8917809 0.82 F7 (0.69) F7F2ITGB3ITGA2BF10
SCHEMBL13714709 0.82 F2 (0.61) F7F2PRSS1PRSS2PRSS3
SCHEMBL13714617 0.82 F7 (0.65) F7F2F10
SCHEMBL8519626 0.81 ITGB3 (0.69) F7F2PRSS1PRSS2PRSS3
SCHEMBL7388492 0.81 ITGB3 (0.82) F7F2PRSS1PRSS2PRSS3
SCHEMBL12348110 0.81 F7 (0.67) F7F2PRSS1PRSS2PRSS3
SCHEMBL29951995 0.80 MAPT (0.64) ITGB3
SCHEMBL4414766 0.80 F7 (0.57) F7F2PRSS1PRSS2PRSS3
SCHEMBL2525700 0.80 PRSS1 (0.62) F2PRSS1PRSS2PRSS3TMPRSS6

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
US-5703050-A INHIBIT PLATELET AGGREGATION, METASTASIS OF CARCINOMA CELLS, OSTEOCLAST BINDING TO BONE SURFACE HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-30 — — 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-20020052417-A1 Factor VIIa inhibitory (thio)urea derivatives, their preparation and their use F7, F9, F5 F7 1/4885F2 15/4885PRSS1 675/4885

“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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