SCHEMBL4629205

SCHEMBL4629205

N=C(N)NCc1ccc(NCC(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 14/20 0.46
CA2 P00918 14/20 0.46
CA12 O43570 13/20 0.46
CA7 P43166 13/20 0.46
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
ERCC1 P07992 1/20 0.41
ERCC4 Q92889 1/20 0.41

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
SCHEMBL4629121 0.82 CA12 (0.46) CA1CA2CA12FFAR1ITGB3
SCHEMBL6821737 0.80 KMT2A (0.59) CA1CA2CA12CA7FFAR1
SCHEMBL11788673 0.80 ITGB3 (0.50) CA1CA2CA12CA7FFAR1
SCHEMBL2524064 0.80 ITGB3 (0.43) CA1CA2ITGB3ITGA2B
SCHEMBL3672272 0.78 CYP2C9 (0.48) CA1CA2CA12
Hydrochloric Acid SCHEMBL3883713 0.78 KMT2A (0.61)
SCHEMBL9690348 0.77 FFAR1 (0.54) CA1CA2FFAR1FFAR4ITGB3
SCHEMBL5692310 0.76 ALDH1A1 (0.44) CA1CA2CA12FFAR1FFAR4
SCHEMBL11787869 0.76 EPHX2 (0.56) FFAR1ITGB3ITGA2B
SCHEMBL11391441 0.76 CA2 (0.52) CA2FFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1483285-B1 INHIBITORS OF THE BLOOD-CLOTTING FACTOR Xa, PRODUCTION THEREOF AND USE OF THE SAME CURACYTE AG (DE) 2008-05-07 EP claimed
US-20050119190-A1 Inhibitors of the blood-clotting factor xa, production thereof and use of the same CURACYTE AG (DE) 2005-06-02 US claimed
EP-1483285-A1 INHIBITORS OF THE BLOOD-CLOTTING FACTOR Xa, PRODUCTION THEREOF AND USE OF THE SAME Curacyte AG (DE) 2004-12-08 EP claimed
WO-2003076457-A1 INHIBITORS OF THE BLOOD-CLOTTING FACTOR Xa, PRODUCTION THEREOF AND USE OF THE SAME CURACYTE AG (DE) 2003-09-18 WO claimed
EP-1483285-B1 INHIBITORS OF THE BLOOD-CLOTTING FACTOR Xa, PRODUCTION THEREOF AND USE OF THE SAME CURACYTE AG (DE) 2008-05-07 EP disclosed
US-20050119190-A1 Inhibitors of the blood-clotting factor xa, production thereof and use of the same CURACYTE AG (DE) 2005-06-02 US disclosed
EP-1483285-A1 INHIBITORS OF THE BLOOD-CLOTTING FACTOR Xa, PRODUCTION THEREOF AND USE OF THE SAME Curacyte AG (DE) 2004-12-08 EP disclosed
WO-2003076457-A1 INHIBITORS OF THE BLOOD-CLOTTING FACTOR Xa, PRODUCTION THEREOF AND USE OF THE SAME CURACYTE AG (DE) 2003-09-18 WO 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-20050119190-A1 Inhibitors of the blood-clotting factor xa, production thereof and use of the same SERPINC1, TFPI, F11 CA1 2280/4885CA2 2236/4885CA12 1608/4885

“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.