SCHEMBL1111300

SCHEMBL1111300

CCOP(=O)(CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)O)OCC

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.54
SIRT1 Q96EB6 2/20 0.54
ECE1 P42892 2/20 0.53
MME P08473 1/20 0.53
CTSL P07711 2/20 0.53
CTSS P25774 1/20 0.53
ITGB3 P05106 2/20 0.49
ITGAV P06756 2/20 0.49
FOLH1 Q04609 2/20 0.49
KYNU Q16719 1/20 0.49
TGM2 P21980 2/20 0.47
CTSK P43235 3/20 0.47
PRTN3 P24158 1/20 0.47
TACR1 P25103 1/20 0.46

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
SCHEMBL1111240 1.00 SIRT2 (0.54) SIRT2SIRT1ECE1MMECTSL
SCHEMBL1111237 1.00 SIRT2 (0.54) SIRT2SIRT1ECE1MMECTSL
SCHEMBL1111112 0.93 SIRT2 (0.53) SIRT2SIRT1ECE1MMECTSL
SCHEMBL1111109 0.93 SIRT2 (0.53) SIRT2SIRT1ECE1MMECTSL
SCHEMBL1111167 0.93 SIRT2 (0.53) SIRT2SIRT1ECE1MMECTSL
SCHEMBL1111174 0.92 KYNU (0.56) SIRT2SIRT1ECE1MMECTSL
SCHEMBL1111177 0.92 KYNU (0.56) SIRT2SIRT1ECE1MMECTSL
SCHEMBL1111180 0.92 KYNU (0.56) SIRT2SIRT1ECE1MMECTSL
SCHEMBL13530111 0.88 SIRT2 (0.56) SIRT2SIRT1ECE1MMECTSL
SCHEMBL1111057 0.85 KYNU (0.58) SIRT2SIRT1CTSLCTSSKYNU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518912-B2 Phosphonic acid derivates and their use as P2Y12 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-08-27 US disclosed
EP-2225253-B1 PHOSPHONIC ACID DERIVATES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-06-27 EP disclosed
US-8058263-B2 Substituted 2-phenyl-pyridine derivatives ACTELION PHARMACEUTICALS LTD (CH) 2011-11-15 US disclosed
US-20110046089-A1 SUBSTITUTED 2-PHENYL-PYRIDINE DERIVATIVES VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2011-02-24 US disclosed
EP-2279191-A1 SUBSTITUTED 2-PHENYL-PYRIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2011-02-02 EP disclosed
US-20100261678-A1 PHOSPHONIC ACID DERIVATES AD THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2010-10-14 US disclosed
EP-2225253-A1 PHOSPHONIC ACID DERIVATES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2010-09-08 EP disclosed
WO-2009125366-A1 SUBSTITUTED 2-PHENYL-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-10-15 WO disclosed
WO-2009069100-A1 PHOSPHONIC ACID DERIVATES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-06-04 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 (2 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-20110046089-A1 SUBSTITUTED 2-PHENYL-PYRIDINE DERIVATIVES P2RY12, P2RY13, P2RY11 SIRT2 1045/4885SIRT1 779/4885ECE1 1479/4885
US-20100261678-A1 PHOSPHONIC ACID DERIVATES AD THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS P2RY12, P2RY13, P2RY11 SIRT2 2912/4885SIRT1 2511/4885ECE1 1971/4885

“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.