SCHEMBL6436022

SCHEMBL6436022

CC(C)COC(=O)N[C@@H](C(=O)O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.59
TSHR P16473 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
LTA4H P09960 1/20 0.49
ANPEP P15144 1/20 0.49
CTSS P25774 2/20 0.48
CTSL P07711 1/20 0.48
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.46
NAALAD2 Q9Y3Q0 1/20 0.44
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
CTSK P43235 1/20 0.43
FOLH1 Q04609 1/20 0.43
HTT P42858 2/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL6436027 1.00 ATM (0.59) ATMTSHRCYP1A2CYP3A4CYP2C9
SCHEMBL1200738 0.84 ATM (0.62) ATMLTA4HANPEPCTSSCTSL
SCHEMBL1890430 0.84 ALDH1A1 (0.50) TSHRALDH1A1LMNAKDM4EHPGD
SCHEMBL1200775 0.84 ATM (0.62) ATMLTA4HANPEPCTSSCTSL
SCHEMBL1200736 0.84 ATM (0.62) ATMLTA4HANPEPCTSSCTSL
SCHEMBL194384 0.80 ATM (0.60) ATMTSHRCYP3A4CYP2C9CYP2C19
SCHEMBL193009 0.80 ATM (0.60) ATMTSHRCYP3A4CYP2C9CYP2C19
SCHEMBL203326 0.80 ATM (0.60) ATMTSHRCYP3A4CYP2C9CYP2C19
SCHEMBL3255533 0.79 ATM (0.77) ATMTSHRCYP1A2CYP3A4CYP2C9
SCHEMBL1362502 0.79 ATM (0.77) ATMTSHRCYP1A2CYP3A4CYP2C9

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 ATM 4301/4885TSHR 3455/4885CYP1A2 33/4885

“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.