Sugi Predict

Sugi Predict / Compounds / SCHEMBL6439696

SCHEMBL6439696

SCHEMBL6439696

CC(C)OC(NC=O)(C(=O)O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ KCNN4 O15554 1/20 0.39
▸ MEN1 O00255 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ MAPT P10636 2/20 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
SCHEMBL6437393 0.82 KCNN4 (0.46) CYP1A2CYP2D6KMT2AKCNN4GAA
SCHEMBL6437211 0.81 ALDH1A1 (0.37) CYP1A2CYP2D6KMT2AKCNN4MEN1
SCHEMBL8784381 0.79 KCNN4 (0.40) CYP1A2CYP2D6KMT2AKCNN4MEN1
SCHEMBL6435352 0.78 KCNN4 (0.39) CYP1A2CYP2D6KMT2AKCNN4MEN1
SCHEMBL4114605 0.74 ALDH1A1 (0.38) CYP1A2CYP2D6KMT2AMEN1TDP1
SCHEMBL28435215 0.73 CYP1A2 (0.44) CYP1A2CYP2D6KMT2AKCNN4MEN1
SCHEMBL1455028 0.73 HDAC3 (0.44) CYP1A2CYP2D6KMT2AKCNN4HDAC3
SCHEMBL1455851 0.73 HDAC3 (0.44) CYP1A2CYP2D6KMT2AKCNN4HDAC3
SCHEMBL1455027 0.73 HDAC3 (0.44) CYP1A2CYP2D6KMT2AKCNN4HDAC3
SCHEMBL27485164 0.69 CYP1A2 (0.47) CYP1A2CYP2D6KMT2AKCNN4MEN1

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 CYP1A2 33/4885CYP2D6 31/4885KMT2A 2507/4885

“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.