SCHEMBL6440433

SCHEMBL6440433

CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1cc2c(N)nccc2s1)C(C=O)c1c[nH]c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.38
F11 P03951 3/20 0.38
ELANE P08246 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
CMA1 P23946 10/20 0.37
PRSS1 P07477 1/20 0.36
CTRC Q99895 2/20 0.36
DPP3 Q9NY33 1/20 0.35

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
SCHEMBL6439001 0.86 HDAC1 (0.48) HDAC1HDAC8
SCHEMBL6438997 0.86 HDAC1 (0.48) HDAC1HDAC8
SCHEMBL6438912 0.81 KCNH2 (0.45) F2F11ELANECMA1PRSS1
SCHEMBL6438909 0.81 KCNH2 (0.45) F2F11ELANECMA1PRSS1
SCHEMBL6440436 0.79 F2 (0.43) F2F11CMA1PRSS1CTRC
SCHEMBL6440430 0.79 F2 (0.43) F2F11CMA1PRSS1CTRC
SCHEMBL6435980 0.76 F2 (0.47) F2F11CMA1PRSS1CTRC
SCHEMBL6438590 0.76 F2 (0.46) F2F11CMA1PRSS1CTRC
SCHEMBL6438586 0.76 F2 (0.46) F2F11CMA1PRSS1CTRC
SCHEMBL6435982 0.76 F2 (0.47) F2F11CMA1PRSS1CTRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1505062-A1 Heterocyclic derivatives and their use as antithrombotic agents Akzo Nobel N.V. (NL) 2005-02-09 EP disclosed
US-6797710-B2 CARDIOVASCULAR DISORDERS; SERINE PROTEASE INHIBITOR; ADMINISTERING BY MOUTH; BIOAVAILABILITY AKZO NOBEL N.V. (NL) 2004-09-28 US disclosed
US-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents MERCK SHARP & DOHME B.V. (NL) 2003-07-10 US disclosed
US-6432955-B1 ANTICOAGULANTS AKZO NOBEL N.V. (NL) 2002-08-13 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-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents F2, F12, VKORC1 F2 1/4885F11 4/4885ELANE 209/4885

“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.