SCHEMBL3055182

SCHEMBL3055182

CCOP(=O)(OCC)c1cccc(C(NC(=O)OC(C)(C)C)C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.46
CTSS P25774 1/20 0.46
MAPT P10636 3/20 0.39
ACE P12821 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGAV P06756 1/20 0.37
ITGA2B P08514 1/20 0.37
ITGB5 P18084 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRB2 P47870 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL3063046 0.90 CTSK (0.42) CTSKCTSSMAPTMEN1KMT2A
SCHEMBL2923386 0.86 CTSK (0.46) CTSKCTSSMAPTACEPPARG
SCHEMBL2922464 0.82 TSHR (0.44) MAPTPOLB
SCHEMBL2921342 0.81 ACE (0.56) CTSKCTSSACEMEN1KMT2A
SCHEMBL2921337 0.81 ACE (0.56) CTSKCTSSACEMEN1KMT2A
SCHEMBL2926756 0.78 P2RY12 (0.42)
SCHEMBL16263882 0.78 CTSK (0.46) CTSKCTSSMAPTPOLBPPARG
SCHEMBL27793713 0.78 MEN1 (0.38) MAPTMEN1KMT2APOLB
SCHEMBL2923417 0.77 CTSK (0.45) CTSKCTSSACEMEN1KMT2A
SCHEMBL2927031 0.77 CTSK (0.45) CTSKCTSSACEMEN1KMT2A

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 3 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-20100261678-A1 PHOSPHONIC ACID DERIVATES AD THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2010-10-14 US 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-20100261678-A1 PHOSPHONIC ACID DERIVATES AD THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS P2RY12, P2RY13, P2RY11 CTSK 4627/4885CTSS 4636/4885MAPT 1762/4885

“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.