SCHEMBL3554195

SCHEMBL3554195

CCCOc1ccc(C(=S)N2CCC2C(=O)NO)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SCN9A Q15858 2/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
S1PR1 P21453 5/20 0.36
SPHK2 Q9NRA0 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
SLC9A1 P19634 1/20 0.35
CYP2C19 P33261 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 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
SCHEMBL3554198 1.00 THRA (0.41) THRATHRBHPGDHSD17B10SCN9A
SCHEMBL3551046 0.95 THRA (0.45) THRATHRBHPGDSCN9ANPC1
SCHEMBL3548215 0.95 THRA (0.45) THRATHRBHPGDSCN9ANPC1
SCHEMBL3547350 0.92 POLB (0.42) HPGDHSD17B10SCN9AALDH1A1SMN1; SMN2
SCHEMBL3547352 0.92 POLB (0.42) HPGDHSD17B10SCN9AALDH1A1SMN1; SMN2
SCHEMBL3546548 0.89 THRA (0.42) THRATHRBHPGDHSD17B10SCN9A
SCHEMBL3546552 0.89 THRA (0.42) THRATHRBHPGDHSD17B10SCN9A
SCHEMBL3545850 0.89 SCN9A (0.39) SCN9AALDH1A1S1PR1CYP2C9CYP2C19
SCHEMBL3545848 0.89 SCN9A (0.39) SCN9AALDH1A1S1PR1CYP2C9CYP2C19
SCHEMBL3545708 0.88 SCN9A (0.36) THRATHRBSCN9AS1PR1SPHK2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 THRA 2239/4885THRB 2792/4885HPGD 688/4885

“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.