SCHEMBL3548715

SCHEMBL3548715

CCCc1cc(I)cc(OC(F)(F)F)c1OC

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.36
DHFR P00374 2/20 0.34
CYP1A2 P05177 1/20 0.33
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
PGK1 P00558 1/20 0.31
PTGS1 P23219 3/20 0.30
PTGS2 P35354 3/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
CHRNA7 P36544 1/20 0.30

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
Hydrochloric Acid SCHEMBL3540707 0.81 DHFR (0.39) HMGCRDHFRCYP1A2
SCHEMBL3547114 0.77 PPARG (0.45) PPARGPPARAPTGS1PTGS2
SCHEMBL3546782 0.74 HMGCR (0.33) HMGCRDHFRCTSSCTSK
SCHEMBL15787675 0.68 PTGS2 (0.41) DHFRCYP1A2PTGS2
SCHEMBL27045935 0.68 PGK1 (0.32) PGK1
SCHEMBL22678870 0.67 PDE4B (0.41) PPARGPPARA
SCHEMBL2916167 0.66 ALOX5 (0.37) CYP1A2PTGS2
SCHEMBL16770809 0.66 APLNR (0.44) HMGCR
SCHEMBL15784815 0.65 CYP1A2 (0.38) CYP1A2
SCHEMBL21513957 0.65 CYP1A2 (0.38) CYP1A2

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 HMGCR 2117/4885DHFR 3454/4885CYP1A2 3740/4885

“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.