SCHEMBL3551046

SCHEMBL3551046

CCCCOc1ccc(C(=S)N2CCC2C(=O)NO)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.45
THRB P10828 2/20 0.45
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SPHK2 Q9NRA0 2/20 0.38
S1PR1 P21453 4/20 0.38
SCN9A Q15858 2/20 0.38
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMPD1 P17405 3/20 0.36
MMP1 P03956 3/20 0.35
MMP3 P08254 3/20 0.35
MMP2 P08253 2/20 0.35
MMP7 P09237 2/20 0.35
MMP13 P45452 2/20 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
SCHEMBL3548215 1.00 THRA (0.45) THRATHRBNPC1ALDH1A1RAB9A
SCHEMBL3554195 0.95 THRA (0.41) THRATHRBNPC1ALDH1A1RAB9A
SCHEMBL3554198 0.95 THRA (0.41) THRATHRBNPC1ALDH1A1RAB9A
SCHEMBL3547350 0.91 POLB (0.42) ALDH1A1SMN1; SMN2SCN9AHPGDL3MBTL1
SCHEMBL3547352 0.91 POLB (0.42) ALDH1A1SMN1; SMN2SCN9AHPGDL3MBTL1
SCHEMBL3543929 0.90 THRA (0.46) THRATHRBNPC1ALDH1A1RAB9A
SCHEMBL3543933 0.90 THRA (0.46) THRATHRBNPC1ALDH1A1RAB9A
SCHEMBL3545848 0.88 SCN9A (0.39) ALDH1A1S1PR1SCN9A
SCHEMBL3545850 0.88 SCN9A (0.39) ALDH1A1S1PR1SCN9A
SCHEMBL3545708 0.87 SCN9A (0.36) THRATHRBSPHK2S1PR1SCN9A

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 2792/4885NPC1 3597/4885

“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.