SCHEMBL1111142

SCHEMBL1111142

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.46
CTSS P25774 6/20 0.46
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
PPARA Q07869 7/20 0.41
PPARG P37231 6/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
ACE P12821 1/20 0.41
PPARD Q03181 2/20 0.40
CAPN1 P07384 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
IDO1 P14902 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39

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
SCHEMBL523768 1.00 CTSK (0.46) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL523769 1.00 CTSK (0.46) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL25412196 0.87 CYP1A2 (0.54) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL524452 0.87 CYP1A2 (0.45) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL30615307 0.87 CYP1A2 (0.54) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL524451 0.87 CYP1A2 (0.45) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL1111203 0.87 CYP1A2 (0.45) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL3044101 0.86 CTSK (0.48) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL29165002 0.86 CTSK (0.44) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL30888824 0.86 CTSK (0.44) CTSKCTSSCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023174810-A1 A PROCESS FOR THE SYNTHESIS OF ( R)-2-(( TERT-BUTOXYCARBONYL)AMINO)-3-(DIETHOXYPHOSPHORYL)PROPANOIC ACID OR OF PHOSPHONATE DERIVATIVES THEREOF IDORSIA PHARMACEUTICALS LTD (CH) 2023-09-21 WO disclosed
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 CTSK 4155/4885CTSS 4226/4885CYP1A2 555/4885
US-20100261678-A1 PHOSPHONIC ACID DERIVATES AD THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS P2RY12, P2RY13, P2RY11 CTSK 4627/4885CTSS 4636/4885CYP1A2 2257/4885

“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.