SCHEMBL1201764

SCHEMBL1201764

CCOP(=O)(OCC)c1ccc(CC(NC(=O)OC(C)(C)C)C(=O)OCC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.46
CTSK P43235 5/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
ACE P12821 1/20 0.43
KLK5 Q9Y337 1/20 0.43
HDAC8 Q9BY41 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42

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
SCHEMBL1201762 1.00 CTSS (0.46) CTSSCTSKCYP1A2CYP2C9CYP2C19
SCHEMBL1111041 0.90 ACE (0.55) CTSSCTSKCTSLCTSBITGB3
SCHEMBL1111037 0.90 ACE (0.55) CTSSCTSKCTSLCTSBITGB3
SCHEMBL3059098 0.87 CTSS (0.47) CTSSCTSKCYP1A2CYP2C9CYP2C19
SCHEMBL3059101 0.87 CTSS (0.47) CTSSCTSKCYP1A2CYP2C9CYP2C19
SCHEMBL694635 0.85 P2RY12 (0.51)
SCHEMBL694636 0.85 P2RY12 (0.51)
SCHEMBL14803767 0.84 PPARG (0.53) CTSSCTSKCYP1A2CYP2C9CYP2C19
SCHEMBL20045974 0.84 PPARG (0.53) CTSSCTSKCYP1A2CYP2C9CYP2C19
SCHEMBL7260689 0.83 CTSS (0.63) CTSSCTSKCYP1A2CYP2C9CYP2C19

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-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-2225253-A1 PHOSPHONIC ACID DERIVATES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2010-09-08 EP 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 (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-20110046089-A1 SUBSTITUTED 2-PHENYL-PYRIDINE DERIVATIVES P2RY12, P2RY13, P2RY11 CTSS 4226/4885CTSK 4155/4885CYP1A2 555/4885

“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.