SCHEMBL1111168

SCHEMBL1111168

COC(=O)[C@@H](CCBr)NC(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.60
ALDH1A1 P00352 1/20 0.58
ALOX15 P16050 1/20 0.58
SIRT2 Q8IXJ6 1/20 0.55
SIRT1 Q96EB6 1/20 0.55
SIRT3 Q9NTG7 1/20 0.55
CTSK P43235 6/20 0.54
CTSS P25774 4/20 0.53
CTSL P07711 3/20 0.53
CTSB P07858 2/20 0.53
TRPM8 Q7Z2W7 1/20 0.52
TACR1 P25103 2/20 0.51
CTRB1 P17538 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
SCHEMBL1111092 1.00 KYNU (0.60) KYNUALDH1A1ALOX15SIRT2SIRT1
SCHEMBL29383012 1.00 KYNU (0.60) KYNUALDH1A1ALOX15SIRT2SIRT1
SCHEMBL1111096 1.00 KYNU (0.60) KYNUALDH1A1ALOX15SIRT2SIRT1
SCHEMBL2064382 0.92 CTSK (0.53) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL2064380 0.92 CTSK (0.53) KYNUALDH1A1ALOX15CTSKCTSS
SCHEMBL1161931 0.91 SIRT2 (0.61) KYNUALDH1A1ALOX15SIRT2SIRT1
SCHEMBL2064388 0.89 CTSL (0.53) KYNUALDH1A1ALOX15SIRT2SIRT1
SCHEMBL2064385 0.89 CTSL (0.53) KYNUALDH1A1ALOX15SIRT2SIRT1
SCHEMBL3778795 0.89 PPARA (0.54) ALDH1A1ALOX15SIRT2SIRT1CTSK
SCHEMBL8386880 0.89 SIRT2 (0.67) KYNUALDH1A1ALOX15SIRT2SIRT1

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 12 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-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
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-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 KYNU 1350/4885ALDH1A1 1458/4885ALOX15 1359/4885
US-20100261678-A1 PHOSPHONIC ACID DERIVATES AD THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS P2RY12, P2RY13, P2RY11 KYNU 1698/4885ALDH1A1 1854/4885ALOX15 334/4885

“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.