SCHEMBL4632227

SCHEMBL4632227

Cc1ccc(C(C)C(=O)O)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.54
HPGD P15428 3/20 0.54
CYP2C19 P33261 2/20 0.54
ADRA2C P18825 1/20 0.54
MAOA P21397 1/20 0.54
ADRA1A P35348 1/20 0.54
DRD3 P35462 1/20 0.54
KCNH2 Q12809 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
ALOX5 P09917 2/20 0.51
DAO P14920 1/20 0.47
UCHL5 Q9Y5K5 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 3/20 0.39
PTGS2 P35354 4/20 0.38
NFKB1 P19838 2/20 0.37

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
SCHEMBL27711089 0.85 ALOX5 (0.53) CYP2C9HPGDCYP2C19ADRA2CMAOA
SCHEMBL5521073 0.80 ALOX5 (0.49) CYP2C9HPGDCYP2C19ADRA2CMAOA
SCHEMBL11518982 0.79 ALOX5 (0.51) CYP2C9HPGDCYP2C19DRD3CYP1A2
SCHEMBL27484445 0.78 CYP2C9 (0.53) CYP2C9HPGDCYP2C19ADRA2CMAOA
SCHEMBL1679307 0.78 CYP2C9 (0.53) CYP2C9HPGDCYP2C19ADRA2CMAOA
SCHEMBL4281496 0.77 ALOX5 (0.54) CYP2C9HPGDCYP2C19ADRA2CMAOA
SCHEMBL9489532 0.76 ALOX5 (0.49) CYP2C9HPGDCYP2C19ADRA2CMAOA
SCHEMBL7759137 0.76 CYP2C9 (0.65) CYP2C9HPGDCYP2C19ADRA2CMAOA
SCHEMBL2068845 0.75 CYP2C9 (0.50) CYP2C9HPGDCYP2C19ADRA2CMAOA
SCHEMBL2069257 0.75 CYP2C9 (0.50) CYP2C9HPGDCYP2C19ADRA2CMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. 2012-08-16 US disclosed
EP-1924546-A1 CONFORMATIONALLY CONSTRAINED 3- (4-HYDROXY-PHENYL) - SUBSTITUTED-PROPANOIC ACIDS USEFUL FOR TREATING METABOLIC DISORDERS Amgen, Inc (US) 2008-05-28 EP disclosed
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative SHIONOGI & CO. LTD. (JP) 2008-05-01 US disclosed
WO-2007033002-A1 CONFORMATIONALLY CONSTRAINED 3- (4-HYDROXY-PHENYL) - SUBSTITUTED-PROPANOIC ACIDS USEFUL FOR TREATING METABOLIC DISORDERS AMGEN INC. (US) 2007-03-22 WO disclosed
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 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-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES CNR2, CNR1, HRH4 CYP2C9 1627/4885HPGD 1235/4885CYP2C19 896/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 CYP2C9 1824/4885HPGD 1169/4885CYP2C19 1098/4885

“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.