SCHEMBL3549042

SCHEMBL3549042

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 4/20 0.44
▸ PPARA Q07869 4/20 0.44
▸ KDM4E B2RXH2 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ HSD17B10 Q99714 2/20 0.34
▸ TSHR P16473 1/20 0.33
▸ CA12 O43570 2/20 0.33

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
SCHEMBL3549047 0.79 PPARG (0.46) PPARGPPARAKDM4EALDH1A1MEN1
SCHEMBL3545740 0.77 KMT2A (0.40) KDM4EALDH1A1HDAC3HDAC4HDAC1
SCHEMBL3546673 0.74 PPARG (0.53) PPARGPPARAKDM4EALDH1A1MEN1
SCHEMBL31395140 0.72 KDM4E (0.48) PPARAKDM4EALDH1A1HDAC3HDAC4
SCHEMBL3547914 0.72 PPARG (0.52) PPARGPPARAKDM4EALDH1A1MEN1
SCHEMBL3545386 0.72 PPARG (0.55) PPARGPPARAKDM4EALDH1A1HSD17B10
SCHEMBL3554130 0.69 TPMT (0.51) PPARGPPARAKDM4EALDH1A1MEN1
SCHEMBL542667 0.68 KDM4E (0.55) PPARGPPARAKDM4EALDH1A1MEN1
SCHEMBL28113609 0.68 ALOX5 (0.51) PPARGPPARAALDH1A1MEN1KMT2A
SCHEMBL11672950 0.68 KDM4E (0.50) PPARGPPARAKDM4EALDH1A1HSD17B10

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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