SCHEMBL6435678

SCHEMBL6435678

Nc1nccc2ccc(OS(=O)(=O)C(F)(F)F)cc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
HTR1A P08908 4/20 0.42
HTR1D P28221 4/20 0.42
HTR1B P28222 4/20 0.42
F10 P00742 7/20 0.40
PLAU P00749 3/20 0.40
F12 P00748 1/20 0.40
NCF1 P14598 1/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
BACE1 P56817 1/20 0.40
HSD11B1 P28845 1/20 0.39
PLAT P00750 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
ROCK1 Q13464 1/20 0.36

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
SCHEMBL129974 0.84 HSD11B1 (0.42) CA1CA2HTR1AHTR1DHTR1B
SCHEMBL127854 0.81 CA1 (0.40) CA1CA2HTR1AHTR1DHTR1B
SCHEMBL7358534 0.77 HTR1A (0.44) CA1CA2HTR1AHTR1DHTR1B
SCHEMBL30380710 0.77 HTR1A (0.44) CA1CA2HTR1AHTR1DHTR1B
SCHEMBL4056753 0.76 CA1 (0.51) CA1CA2HTR1AHTR1DHTR1B
SCHEMBL6982099 0.75 F12 (0.44) F10PLAUF12NCF1NOS3
SCHEMBL13251162 0.75 HTR1D (0.45) CA1CA2HTR1AHTR1DHTR1B
SCHEMBL30290794 0.74 CA1 (0.46) CA1CA2HTR1AHTR1DHTR1B
SCHEMBL1834564 0.73 PLAU (0.59) F10PLAUF12NCF1NOS3
SCHEMBL7287307 0.73 CA1 (0.45) CA1CA2HTR1AHTR1DHTR1B

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 8 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
EP-0975600-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS Akzo Nobel N.V. (NL) 2000-02-02 EP disclosed
WO-1998047876-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS AKZO NOBEL N.V. (NL) 1998-10-29 WO 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 CA1 647/4885CA2 381/4885HTR1A 1068/4885

“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.