SCHEMBL6437261

SCHEMBL6437261

COc1ccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)N2CCC[C@H]2C(=O)NCc2ccc3ccnc(N)c3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F11 P03951 7/20 0.53
F2 P00734 5/20 0.53
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
PRSS1 P07477 2/20 0.45
CMA1 P23946 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC8 Q9BY41 2/20 0.43
PKM P14618 1/20 0.42
ACE P12821 1/20 0.42

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
SCHEMBL6437259 1.00 F11 (0.53) F11F2ALDH1A1LMNAPRSS1
SCHEMBL6439807 0.96 F11 (0.48) F11F2ALDH1A1LMNAPRSS1
SCHEMBL6439808 0.96 F11 (0.48) F11F2ALDH1A1LMNAPRSS1
SCHEMBL6437522 0.94 F11 (0.60) F11F2ALDH1A1LMNAPRSS1
SCHEMBL6437519 0.94 F11 (0.60) F11F2ALDH1A1LMNAPRSS1
SCHEMBL6438552 0.93 F2 (0.55) F11F2PRSS1CMA1ACE
SCHEMBL6438550 0.93 F2 (0.55) F11F2PRSS1CMA1ACE
SCHEMBL6435634 0.93 F11 (0.58) F11F2ALDH1A1LMNAPRSS1
SCHEMBL6435631 0.93 F11 (0.58) F11F2ALDH1A1LMNAPRSS1
SCHEMBL6438281 0.90 F11 (0.55) F11F2ALDH1A1LMNAPRSS1

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 5 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-6444672-B1 ORAL BIOVAILABILITY; INHIBITORS OF THROMBIN AND/OR FACTOR XA; SERINE PROTEASE INHIBITOR AKZO NOBEL N.V. (NL) 2002-09-03 US disclosed
US-6194409-B1 SERINE PROTEASE INHIBITOR; BIOAVAILABILITY WHEN ADMINISTERED BY MOUTH AKZO NOBEL N.V. (NL) 2001-02-27 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 F11 4/4885F2 1/4885ALDH1A1 170/4885

“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.