SCHEMBL5846128

SCHEMBL5846128

O=C(O)[C@H](O)CSCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.52
ACE P12821 2/20 0.49
PPARA Q07869 3/20 0.46
PPARG P37231 2/20 0.46
CYP1A2 P05177 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
METAP2 P50579 1/20 0.43

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
SCHEMBL2162954 1.00 CYP2C19 (0.52) CYP2C19ACEPPARAPPARGCYP1A2
SCHEMBL723034 1.00 CYP2C19 (0.52) CYP2C19ACEPPARAPPARGCYP1A2
SCHEMBL5418068 0.82 CYP1A2 (0.55) CYP2C19ACEPPARAPPARGCYP1A2
SCHEMBL723068 0.81 CYP2C19 (0.58) CYP2C19ACECYP1A2ALDH1A1HPGD
SCHEMBL2164032 0.81 METAP2 (0.50) CYP2C19ACEPPARAPPARGMETAP2
SCHEMBL2164026 0.81 METAP2 (0.50) CYP2C19ACEPPARAPPARGMETAP2
SCHEMBL31478099 0.79 CYP2C19 (0.48) CYP2C19ACECYP1A2ALDH1A1HPGD
SCHEMBL9574275 0.79 CYP2C19 (0.48) CYP2C19ACEPPARAPPARGCYP1A2
SCHEMBL11713290 0.79 CYP2D6 (0.52) CYP2C19ACECYP1A2
SCHEMBL1741031 0.79 ACE (0.58) CYP2C19ACEPPARAPPARGMETAP2

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-7087622-B2 Pyridone compounds as inhibitors of bacterial type III protein secreation systems JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-08 US disclosed
WO-2005110988-A1 PYRIDONE COMPOUNDS AS INHIBITORS OF BACTERIAL TYPE III PROTEIN SECRETION SYSTEMS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-11-24 WO disclosed
US-20050256137-A1 Pyridone compounds as inhibitors of bacterial type III protien secreation systems JANSSEN PHARMACEUTICA, N.V. (BE) 2005-11-17 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-20050256137-A1 Pyridone compounds as inhibitors of bacterial type III protien secreation systems PROC, PSMB3, PANK3 CYP2C19 1514/4885ACE 2152/4885PPARA 2855/4885

“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.