SCHEMBL6436703

SCHEMBL6436703

CC(=O)O[C@H](C(=O)N1CCC[C@H]1C(=O)NCc1cc2c(N)nccc2o1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 16/20 0.45
F11 P03951 3/20 0.44
ALDH1A1 P00352 1/20 0.40
PRSS1 P07477 3/20 0.38
F10 P00742 1/20 0.38
TACR1 P25103 1/20 0.37
ADAM10 O14672 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP13 P45452 1/20 0.37
MMP14 P50281 1/20 0.37
ADAM17 P78536 1/20 0.37

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
SCHEMBL6436701 1.00 F2 (0.45) F2F11ALDH1A1PRSS1F10
SCHEMBL6435093 0.98 F2 (0.42) F2F11ALDH1A1PRSS1F10
SCHEMBL6435096 0.98 F2 (0.42) F2F11ALDH1A1PRSS1F10
SCHEMBL6435641 0.95 F2 (0.39) F2F11ALDH1A1PRSS1F10
SCHEMBL6435650 0.95 F2 (0.39) F2F11ALDH1A1PRSS1F10
SCHEMBL6438914 0.84 F2 (0.45) F2F11ALDH1A1PRSS1F10
SCHEMBL6438918 0.84 F2 (0.45) F2F11ALDH1A1PRSS1F10
SCHEMBL6435495 0.84 F11 (0.62) F2F11PRSS1F10
SCHEMBL6435490 0.84 F11 (0.62) F2F11PRSS1F10
SCHEMBL6436216 0.84 F11 (0.62) F2F11PRSS1F10

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 6 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-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 1/4885F11 4/4885ALDH1A1 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.