SCHEMBL1205705

SCHEMBL1205705

COC(CCOS(C)(=O)=O)OC

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.50
TSHR P16473 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MMP9 P14780 1/20 0.50
ALOX15 P16050 1/20 0.50

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
SCHEMBL27447673 0.83 TSHR (0.60) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL1614210 0.79 USP2 (0.48) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL20597785 0.77 USP2 (0.46) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL527588 0.77 USP2 (0.57) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL7618433 0.75 USP2 (0.55) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL3706344 0.75 ALDH1A1 (0.55) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL2929164 0.74 USP2 (0.43) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL23149218 0.73 USP2 (0.52) USP2TSHRKDM4EALDH1A1LMNA
SCHEMBL30469514 0.73 USP2 (0.52) USP2TSHRKDM4EALDH1A1LMNA
Ethane Dimethane Sulfonate SCHEMBL1336145 0.73 USP2 (0.75) USP2TSHRKDM4EALDH1A1LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076336-B2 Triazolopyridazines as PAR1 inhibitors, production thereof, and use as medicaments SANOFI-AVENTIS (FR) 2011-12-13 US disclosed
US-20110034451-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2011-02-10 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-20110034451-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS F2R, F2RL3, F2RL1 USP2 2534/4885TSHR 439/4885KDM4E 3015/4885

“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.