SCHEMBL3545746

SCHEMBL3545746

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ HSD17B10 Q99714 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KDM4E B2RXH2 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HMGCR P04035 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ STING1 Q86WV6 1/20 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
SCHEMBL3545740 0.81 KMT2A (0.40) MEN1KMT2AHSD17B10SMN1; SMN2KDM4E
SCHEMBL8156668 0.76 HMGCR (0.46) HSD17B10SMN1; SMN2KDM4EHMGCRPOLB
SCHEMBL3549047 0.75 PPARG (0.46) MEN1KMT2AHSD17B10KDM4EALDH1A1
SCHEMBL15338467 0.73 GABRA1 (0.47) MEN1KMT2AHSD17B10KDM4EALDH1A1
SCHEMBL24885565 0.70 KDM4E (0.51) MEN1KMT2AHSD17B10SMN1; SMN2KDM4E
SCHEMBL31456004 0.70 HMGCR (0.49) MEN1KMT2AKDM4EALDH1A1CYP3A4
SCHEMBL15174365 0.70 PPARA (0.51) MEN1KMT2AALDH1A1GAAHTR2A
SCHEMBL7378524 0.69 KDM4E (0.73) KMT2AHSD17B10KDM4EALDH1A1CYP1A2
SCHEMBL3548975 0.69 CNR2 (0.43) HSD17B10KDM4EALDH1A1HMGCRPOLB
SCHEMBL11068304 0.69 TAAR1 (0.50) HSD17B10KDM4ECYP3A4HMGCRPOLB

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 MEN1 3834/4885KMT2A 1078/4885HSD17B10 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.

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