SCHEMBL6442072

SCHEMBL6442072

COc1cc(C)c(S(=O)(=O)[C@@H](CC(=O)OC(C)(C)C)C(=O)O)c(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.39
MTNR1A P48039 5/20 0.36
MTNR1B P49286 5/20 0.36
AVPR1B P47901 7/20 0.36
NMT1 P30419 2/20 0.35
AVPR1A P37288 1/20 0.34
ABCB1 P08183 1/20 0.33
STING1 Q86WV6 1/20 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
SCHEMBL6440140 0.81 AVPR1B (0.48) F2AVPR1BNMT1AVPR1A
SCHEMBL14519877 0.69 NMT1 (0.47) F2AVPR1BNMT1AVPR1A
SCHEMBL6388450 0.69 AVPR1B (0.49) F2AVPR1BNMT1AVPR1A
SCHEMBL6388453 0.69 AVPR1B (0.49) F2AVPR1BNMT1AVPR1A
SCHEMBL493243 0.69 BDKRB1 (0.45)
SCHEMBL4086577 0.68 KDM4E (0.38) F2AVPR1BAVPR1A
SCHEMBL8838205 0.68 AVPR1B (0.52) F2AVPR1BNMT1AVPR1A
SCHEMBL2201978 0.67 BMP1 (0.43)
SCHEMBL6390711 0.66 AVPR1B (0.53) F2AVPR1BNMT1AVPR1A
SCHEMBL6390714 0.66 AVPR1B (0.53) F2AVPR1BNMT1AVPR1A

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 1/4885MTNR1A 1270/4885MTNR1B 792/4885

“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.