SCHEMBL3539883

SCHEMBL3539883

C=CCOc1ccc(C(=S)N2CCC2C(=O)NO)cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.37
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
SSTR4 P31391 1/20 0.34
LIG1 P18858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TEAD1 P28347 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ADAM17 P78536 1/20 0.33
S1PR1 P21453 1/20 0.33
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
EPHX2 P34913 1/20 0.32

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
SCHEMBL3539886 1.00 SCN9A (0.37) SCN9ARXRARXRBRXRGSSTR4
SCHEMBL3545708 0.91 SCN9A (0.36) SCN9ARXRARXRBRXRGSSTR4
SCHEMBL3545709 0.91 SCN9A (0.36) SCN9ARXRARXRBRXRGSSTR4
SCHEMBL3550911 0.89 SCN9A (0.37) SCN9ARXRARXRBRXRGSSTR4
SCHEMBL3550909 0.89 SCN9A (0.37) SCN9ARXRARXRBRXRGSSTR4
SCHEMBL3541117 0.89 PDK2 (0.40) SCN9ARXRARXRBRXRGSSTR4
SCHEMBL3541113 0.89 PDK2 (0.40) SCN9ARXRARXRBRXRGSSTR4
SCHEMBL3545850 0.88 SCN9A (0.39) SCN9ARXRARXRBRXRGSSTR4
SCHEMBL3545848 0.88 SCN9A (0.39) SCN9ARXRARXRBRXRGSSTR4
SCHEMBL3547352 0.87 POLB (0.42) SCN9ARXRARXRBRXRGKMT2A

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 7 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 claimed
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity VICURON HOLDINGS LLC 2008-03-06 US claimed
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 SCN9A 4080/4885RXRA 4524/4885RXRB 4684/4885

“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.