SCHEMBL1622121

SCHEMBL1622121

N=C(N)c1cccc(C(=O)N(CC(=O)O)c2ccccc2)c1.NC(=O)N1CC[C@@H](N)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.43
F10 P00742 8/20 0.42
TPSAB1 Q15661 1/20 0.41
PRSS1 P07477 5/20 0.40
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
ACHE P22303 1/20 0.37
PLAU P00749 1/20 0.37
PTGIR P43119 1/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
HPN P05981 1/20 0.36
HGFAC Q04756 1/20 0.36
ST14 Q9Y5Y6 1/20 0.36
ADRA2C P18825 1/20 0.36

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
SCHEMBL1623600 0.86 F10 (0.44) F2F10TPSAB1PRSS1ITGB3
SCHEMBL1625439 0.86 F2 (0.52) F2F10TPSAB1PRSS1
SCHEMBL1623950 0.85 F2 (0.46) F2F10PRSS1PLAUADRA2C
SCHEMBL1624703 0.85 F2 (0.55) F2F10PRSS1ACHEPLAU
SCHEMBL1624326 0.84 F10 (0.48) F2F10PRSS1ITGB3ITGA2B
SCHEMBL1625707 0.83 F2 (0.53) F2F10PRSS1PLAUPRSS2
SCHEMBL1623532 0.82 USP2 (0.47) F2F10PRSS1ITGB3ITGA2B
SCHEMBL1624848 0.82 F2 (0.56) F2F10PRSS1
SCHEMBL1623927 0.82 MGLL (0.49) F2F10PRSS1
SCHEMBL1624577 0.80 MEN1 (0.51) F2F10PRSS1ITGB3ITGA2B

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-7928137-B2 Meta-benzamidine derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2011-04-19 US disclosed
US-20070155790-A1 Meta-benzamidine derivatives as serine protease inhibitors LIEBESCHUETZ JOHN W 2007-07-05 US disclosed
US-7220781-B2 Meta-benzamidine derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2007-05-22 US disclosed
EP-1009758-B1 META-BENZAMIDINE DERIVATIVES AS SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2005-06-01 EP disclosed
US-20040143018-A1 Meta-benzamidine derivatives as serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-07-22 US disclosed
US-6740682-B2 TREATMENT OF THROMBOTIC DISEASES, ASTHMA, EMPHYSEMA, CIRRHOSIS, ARTHRITIS, CARCINOMA, MELANOMA, RESTENOIS, ATHEROMA, TRAUMA, SHOCK AND REPERFUSION INJURY. TULARIK LIMITED (GB) 2004-05-25 US disclosed
US-20020055522-A1 Meta-benzamidine derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2002-05-09 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 (3 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-20020055522-A1 Meta-benzamidine derivatives as serine protease inhibitors SERPINE1, PEPD, PRSS1 F2 113/4885F10 378/4885TPSAB1 38/4885
US-20070155790-A1 Meta-benzamidine derivatives as serine protease inhibitors PEPD, SERPINE1, HPN F2 103/4885F10 292/4885TPSAB1 87/4885
US-20040143018-A1 Meta-benzamidine derivatives as serine protease inhibitors SERPINE1, PEPD, PRSS1 F2 113/4885F10 378/4885TPSAB1 38/4885

“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.