SCHEMBL5452680

SCHEMBL5452680

CCC(=O)C(Cc1ccccc1)C(=O)OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.55
POLB P06746 1/20 0.50
PPARG P37231 2/20 0.49
PPARD Q03181 2/20 0.49
PPARA Q07869 2/20 0.49
ATM Q13315 1/20 0.49
ALDH1A1 P00352 2/20 0.48
THRB P10828 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MDM2 Q00987 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PTPRB P23467 1/20 0.47
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
TP53 P04637 1/20 0.46
NPY1R P25929 1/20 0.45
NPY2R P49146 1/20 0.45

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
SCHEMBL1442737 0.88 MMP8 (0.58) MMP8POLBPPARGPPARDPPARA
SCHEMBL391783 0.86 PPARG (0.61) MMP8POLBPPARGPPARDPPARA
SCHEMBL8287672 0.86 PPARG (0.61) MMP8POLBPPARGPPARDPPARA
SCHEMBL27557836 0.86 MDM2 (0.57) MMP8POLBMDM2RAB9A
SCHEMBL5143613 0.85 MMP8 (0.50) MMP8POLBPPARGPPARDPPARA
SCHEMBL6506722 0.85 ESR1 (0.62) PPARGPPARDPPARAMDM2KMT2A
SCHEMBL7270701 0.84 MMP8 (0.55) MMP8POLBPPARGPPARDPPARA
SCHEMBL7239119 0.84 CYP1A2 (0.55) MMP8POLBPPARGPPARACYP2C9
SCHEMBL3779421 0.84 NOS2 (0.48) PPARGPPARDPPARAMEN1KMT2A
SCHEMBL7061349 0.84 SMN1; SMN2 (0.49) MMP8POLBALDH1A1MEN1KMT2A

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
WO-2011014520-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-02-03 WO disclosed
EP-1213288-B1 Propanoic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2009-01-14 EP disclosed
US-20070191395-A1 Heterocyclic compounds having antifungal activity DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 US disclosed
EP-1717238-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 EP 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-20070191395-A1 Heterocyclic compounds having antifungal activity ERG28, MANBA, MAN2B1 MMP8 711/4885POLB 2910/4885PPARG 3890/4885

“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.