SCHEMBL3545740

SCHEMBL3545740

CCCc1cc(C(=O)OC)c(SC(=S)OCC)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NSD2 O96028 2/20 0.36
▸ HMGCR P04035 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ CA12 O43570 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ STING1 Q86WV6 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RUNX1 Q01196 1/20 0.35

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
SCHEMBL3545746 0.81 MEN1 (0.45) KMT2AMEN1HSD17B10SMN1; SMN2HMGCR
SCHEMBL3549042 0.77 PPARG (0.44) KMT2AMEN1HSD17B10SMN1; SMN2CA1
SCHEMBL12565531 0.74 ALDH1A1 (0.45) KMT2AMEN1HSD17B10SMN1; SMN2CA1
SCHEMBL8156668 0.71 HMGCR (0.46) HSD17B10SMN1; SMN2HMGCRSTING1KDM4E
SCHEMBL15338467 0.70 GABRA1 (0.47) KMT2AMEN1HSD17B10LMNAMAPT
SCHEMBL31643533 0.68 CYP3A4 (0.51) KMT2AMEN1HSD17B10SMN1; SMN2MAPT
SCHEMBL31456004 0.67 HMGCR (0.49) KMT2AMEN1HMGCRCA1CA2
SCHEMBL15174365 0.67 PPARA (0.51) KMT2AMEN1ALDH1A1GAAHTR2A
SCHEMBL19364199 0.67 GAA (0.34) SMN1; SMN2CA1CA2CA9CA12
SCHEMBL9360405 0.67 ALDH1A1 (0.46) KMT2AMEN1HSD17B10SMN1; SMN2LMNA

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-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
EP-1539744-A4 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARM INC (US) 2007-06-06 — — EP disclosed
EP-1539744-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2005-06-15 — — EP disclosed
WO-2004007444-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS, INC. (US) 2004-01-22 — — 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 (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 KMT2A 1078/4885MEN1 3834/4885HSD17B10 585/4885

“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.

Send feedback