SCHEMBL6435650

SCHEMBL6435650

CC(=O)O[C@H](C(=O)N1CC[C@H]1C(=O)NCc1cc2c(N)nccc2o1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.39
F11 P03951 5/20 0.39
PRSS1 P07477 1/20 0.38
HSD17B10 Q99714 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
TSHR P16473 1/20 0.33
F10 P00742 1/20 0.33
LNPEP Q9UIQ6 1/20 0.33

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
SCHEMBL6435641 1.00 F2 (0.39) F2F11PRSS1HSD17B10USP2
SCHEMBL6436703 0.95 F2 (0.45) F2F11PRSS1ALDH1A1F10
SCHEMBL6436701 0.95 F2 (0.45) F2F11PRSS1ALDH1A1F10
SCHEMBL6435096 0.95 F2 (0.42) F2F11PRSS1ALDH1A1TSHR
SCHEMBL6435093 0.95 F2 (0.42) F2F11PRSS1ALDH1A1TSHR
SCHEMBL6435578 0.83 F2 (0.39) F2F11PRSS1ALDH1A1F10
SCHEMBL6436272 0.83 F11 (0.56) F2F11PRSS1F10
SCHEMBL6435588 0.83 F2 (0.39) F2F11PRSS1ALDH1A1F10
SCHEMBL6436268 0.83 F11 (0.56) F2F11PRSS1F10
SCHEMBL6438918 0.79 F2 (0.45) F2F11PRSS1ALDH1A1F10

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-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 4/4885PRSS1 857/4885

“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.