SCHEMBL6436795

SCHEMBL6436795

CC1CCN(C(=O)C(Cc2cc3c(N)nccc3s2)NS(=O)(=O)c2ccc(COC3CCOCC3)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.68
PRSS1 P07477 8/20 0.68
F10 P00742 2/20 0.43
CCR10 P46092 6/20 0.43
PLAU P00749 1/20 0.41

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
SCHEMBL6441417 0.90 F2 (0.73) F2PRSS1F10CCR10PLAU
SCHEMBL6435328 0.83 F2 (0.77) F2PRSS1F10CCR10
SCHEMBL7957302 0.82 F2 (0.49) F2PRSS1F10CCR10PLAU
SCHEMBL6441522 0.82 F2 (0.75) F2PRSS1F10CCR10
Hydrochloric Acid SCHEMBL6454782 0.81 F2 (0.84) F2PRSS1F10PLAU
Hydrochloric Acid SCHEMBL6449385 0.81 F2 (0.99) F2PRSS1
Hydrochloric Acid SCHEMBL6452736 0.80 F2 (0.99) F2PRSS1F10
Hydrochloric Acid SCHEMBL6451485 0.79 F2 (0.72) F2PRSS1F10CCR10PLAU
SCHEMBL6459612 0.79 F2 (0.69) F2PRSS1F10CCR10PLAU
Hydrochloric Acid SCHEMBL6454381 0.78 F2 (0.68) F2PRSS1F10CCR10PLAU

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 1/4885PRSS1 857/4885F10 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.