SCHEMBL3549047

SCHEMBL3549047

CCCc1cc(C(=O)OC)cc(C(=S)OCC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 4/20 0.46
▸ PPARA Q07869 4/20 0.46
▸ KDM4E B2RXH2 5/20 0.42
▸ ALDH1A1 P00352 4/20 0.40
▸ HSD17B10 Q99714 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ GALK1 P51570 1/20 0.36
▸ CNR2 P34972 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CA12 O43570 2/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA7 P43166 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ CA14 Q9ULX7 2/20 0.35
▸ TSHR P16473 1/20 0.34

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
SCHEMBL3549042 0.79 PPARG (0.44) PPARGPPARAKDM4EALDH1A1HSD17B10
SCHEMBL3546673 0.76 PPARG (0.53) PPARGPPARAKDM4EALDH1A1MEN1
SCHEMBL3545746 0.75 MEN1 (0.45) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL3545386 0.75 PPARG (0.55) PPARGPPARAKDM4EALDH1A1HSD17B10
SCHEMBL3547914 0.75 PPARG (0.52) PPARGPPARAKDM4EALDH1A1HSD17B10
SCHEMBL14373003 0.72 TSHR (0.42) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL3554130 0.71 TPMT (0.51) PPARGPPARAKDM4EALDH1A1MEN1
SCHEMBL542667 0.71 KDM4E (0.55) PPARGPPARAKDM4EALDH1A1HSD17B10
SCHEMBL3548975 0.71 CNR2 (0.43) PPARGPPARAKDM4EALDH1A1HSD17B10
SCHEMBL28113609 0.71 ALOX5 (0.51) PPARGPPARAALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691843-B2 N-hydroxyamide derivatives possessing antibacterial activity PFIZER INC. (US) 2010-04-06 — — US disclosed
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity VICURON HOLDINGS LLC 2008-03-06 — — 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-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity AMDHD2, OGA, ENGASE PPARG 4024/4885PPARA 3704/4885KDM4E 2323/4885

“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.

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