SCHEMBL6437972

SCHEMBL6437972

Nc1nccc2cc(CC(NC(=O)O)C(=O)N3CCOCC3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.49
PRSS1 P07477 2/20 0.48
KLKB1 P03952 8/20 0.45
KLK1 P06870 6/20 0.45
MAP4K1 Q92918 1/20 0.43
ROCK1 Q13464 6/20 0.42
ROCK2 O75116 1/20 0.41
KCNH2 Q12809 1/20 0.41
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
F11 P03951 2/20 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
SCHEMBL6439089 0.82 F2 (0.50) F2PRSS1KLKB1
SCHEMBL7708347 0.79 KLKB1 (0.41) F2PRSS1KLKB1KLK1MAP4K1
SCHEMBL6437958 0.77 F2 (0.53) F2PRSS1KLKB1KLK1F11
SCHEMBL6252653 0.76 MMP1 (0.51) MMP1MMP3
Hydrochloric Acid SCHEMBL6441358 0.74 F2 (0.51) F2PRSS1
SCHEMBL21529121 0.74 MMP8 (0.49) MMP1MMP3
SCHEMBL21529123 0.74 MMP8 (0.49) MMP1MMP3
Hydrochloric Acid SCHEMBL6439707 0.73 F2 (0.54) F2PRSS1ROCK1
Naphthalene SCHEMBL6438601 0.73 F2 (0.47) F2PRSS1KLKB1KLK1ROCK1
SCHEMBL7431443 0.73 KLKB1 (0.44) KLKB1KLK1MAP4K1ROCK1ROCK2

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-6432955-B1 ANTICOAGULANTS AKZO NOBEL N.V. (NL) 2002-08-13 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 F2 1/4885PRSS1 857/4885KLKB1 2515/4885

“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.