SCHEMBL6472491

SCHEMBL6472491

CSCC(OC(=O)[C@@H](C)CS)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ENPEP Q07075 2/20 0.35
ACE P12821 5/20 0.33
RNPEP Q9H4A4 1/20 0.32
CYP1A2 P05177 1/20 0.31

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
SCHEMBL3218126 1.00 ENPEP (0.35) ENPEPACERNPEPCYP1A2
SCHEMBL3218131 1.00 ENPEP (0.35) ENPEPACERNPEPCYP1A2
SCHEMBL7397575 0.98 ENPEP (0.34) ENPEPACERNPEPCYP1A2
SCHEMBL7393952 0.98 ENPEP (0.34) ENPEPACERNPEP
SCHEMBL9240731 0.98 ENPEP (0.34) ENPEPACERNPEP
SCHEMBL7393959 0.98 ENPEP (0.34) ENPEPACERNPEPCYP1A2
SCHEMBL7397291 0.98 ENPEP (0.34) ENPEPACERNPEPCYP1A2
SCHEMBL7397297 0.98 ENPEP (0.34) ENPEPACERNPEPCYP1A2
SCHEMBL7397577 0.98 ENPEP (0.34) ENPEPACERNPEPCYP1A2
SCHEMBL7397294 0.86

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-20050070543-A1 Compositions of a chromene or phenyl acetic acid cyclooxygenase-2 selective inhibitor and an ACE inhibitor for the treatment of central nervous system damage PHARMACIA CORPORATION 2005-03-31 US claimed
WO-2005016249-A2 COMPOSITIONS OF A CHROMENE OR PHENYL ACETIC ACID CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND AN ACE INHIBITOR FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DAMAGE PHARMACIA CORPORATION (US) 2005-02-24 WO claimed
EP-0535042-B1 ANGIOTENSIS CONVERTING ENZYME INHIBITORS FISONS PLC (GB) 1995-03-29 EP claimed
US-5348978-A Angiotensin converting enzyme inhibitors FISONS PLC (GB) 1994-09-20 US claimed

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-20050070543-A1 Compositions of a chromene or phenyl acetic acid cyclooxygenase-2 selective inhibitor and an ACE inhibitor for the treatment of central nervous system damage ACE, ACE2, AGTR2 ENPEP 187/4885ACE 1/4885RNPEP 402/4885

“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.