SCHEMBL4629121

SCHEMBL4629121

N=C(N)NCc1cccc(NCC(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 8/20 0.46
CA1 P00915 8/20 0.46
CA2 P00918 8/20 0.46
CA4 P22748 8/20 0.46
CA9 Q16790 8/20 0.46
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
ERCC1 P07992 1/20 0.44
ERCC4 Q92889 1/20 0.44
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
AOC3 Q16853 2/20 0.43
FFAR1 O14842 2/20 0.42
F7 P08709 2/20 0.40
F10 P00742 1/20 0.40

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
SCHEMBL4629205 0.82 CA1 (0.46) CA12CA1CA2ITGB3ITGA2B
SCHEMBL23135393 0.81 AURKA (0.40) F10
SCHEMBL4629763 0.79 ITGB3 (0.45) CA12CA1CA2CA4CA9
SCHEMBL6370932 0.79 CFD (0.53) CA12CA1CA2CA4CA9
SCHEMBL17894425 0.78 SENP1 (0.59) ITGB3ITGA2BMEN1KMT2A
Hydrochloric Acid SCHEMBL7327435 0.78 NR1H4 (0.55) CA1CA2KMT2AF10
SCHEMBL20714977 0.77 ROCK2 (0.42) F7F10
SCHEMBL12265814 0.77 AOC3 (0.50) CA1CA2ITGB3ITGA2BMEN1
SCHEMBL20487535 0.76 NR1H4 (0.56) CA1CA2KMT2AF10
SCHEMBL4629361 0.76 ITGB3 (0.64) ITGB3ITGA2BKMT2A

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 CA12 1608/4885CA1 2280/4885CA2 2236/4885

“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.