SCHEMBL6438838

SCHEMBL6438838

Nc1nccc2oc(CNC(=O)C3CCCN3C(=O)C(Cc3ccccc3)NCC(=O)O)cc12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.47
F11 P03951 3/20 0.47
F10 P00742 2/20 0.44
ALDH1A1 P00352 2/20 0.43
PRSS1 P07477 1/20 0.41
POLB P06746 1/20 0.38
TMPRSS11D O60235 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL6438847 1.00 F2 (0.47) F2F11F10ALDH1A1PRSS1
SCHEMBL6435600 0.95 F2 (0.41) F2F11F10ALDH1A1PRSS1
SCHEMBL6435595 0.95 F2 (0.41) F2F11F10ALDH1A1PRSS1
SCHEMBL6438918 0.88 F2 (0.45) F2F11F10ALDH1A1PRSS1
SCHEMBL6438914 0.88 F2 (0.45) F2F11F10ALDH1A1PRSS1
SCHEMBL7702468 0.87 ALDH1A1 (0.41) F2F11ALDH1A1PRSS1POLB
SCHEMBL6438340 0.85 F11 (0.65) F2F11F10ALDH1A1PRSS1
SCHEMBL3767038 0.85 F11 (0.65) F2F11F10ALDH1A1PRSS1
SCHEMBL7705487 0.85 F2 (0.57) F2F11F10ALDH1A1PRSS1
SCHEMBL6438351 0.85 F2 (0.57) F2F11F10ALDH1A1PRSS1

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 F2 1/4885F11 4/4885F10 12/4885

“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.