SCHEMBL6436274

SCHEMBL6436274

CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CC[C@H]1C(=O)NCc1ccc2c(N)nccc2c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.48
F11 P03951 12/20 0.48
F2 P00734 8/20 0.48
F7 P08709 6/20 0.43
F10 P00742 5/20 0.43
PRSS1 P07477 5/20 0.43
PRSS2 P07478 5/20 0.43
PRSS3 P35030 5/20 0.43
F12 P00748 3/20 0.43
F9 P00740 1/20 0.43
KLKB1 P03952 2/20 0.42
KLK1 P06870 2/20 0.42
PTPN1 P18031 1/20 0.42
F3 P13726 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
SCHEMBL6436273 1.00 HDAC8 (0.48) HDAC8F11F2F7F10
SCHEMBL6442101 0.96 F11 (0.53) HDAC8F11F2F7F10
SCHEMBL6442105 0.96 F11 (0.53) HDAC8F11F2F7F10
SCHEMBL6436032 0.88 F11 (0.56) F11F2F7F10PRSS1
SCHEMBL7594280 0.86 F11 (0.46) F11F2F7F10PRSS1
SCHEMBL6439011 0.85 F11 (0.52) F11F2F7F10PRSS1
SCHEMBL6439009 0.85 F11 (0.52) F11F2F7F10PRSS1
SCHEMBL6436567 0.83 F11 (0.63) F11F2F7F10PRSS1
Hydrochloric Acid SCHEMBL3758536 0.83 F11 (0.62) F11F2F7F10PRSS1
SCHEMBL6438358 0.78 F11 (0.53) F11F2F7F10PRSS1

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 HDAC8 966/4885F11 4/4885F2 1/4885

“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.