SCHEMBL3548155

SCHEMBL3548155

COc1ccc(C(O)=S)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.42
S1PR1 P21453 1/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
BACE1 P56817 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA7 P43166 1/20 0.41
TPMT P51580 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL3549373 0.85 SIRT1 (0.44) SIRT1S1PR1CYP2C9CYP2C19HTT
SCHEMBL3547245 0.85 SIRT1 (0.42) SIRT1S1PR1CYP2C9CYP2C19HTT
SCHEMBL615379 0.83 CA12 (0.62) HTTLMNAMAPK1RAB9AALDH1A1
SCHEMBL20342731 0.81 S1PR1 (0.42) SIRT1S1PR1CYP2C9CYP2C19HTT
SCHEMBL79042 0.79 ALDH1A1 (0.50) CYP2C9CYP2C19HTTLMNAMAPK1
SCHEMBL29638900 0.79 ALDH1A1 (0.50) CYP2C9CYP2C19HTTLMNAMAPK1
SCHEMBL3553864 0.78 ALDH1A1 (0.42) CYP2C9CYP2C19HTTLMNAALDH1A1
SCHEMBL2470879 0.78 NOTUM (0.62) SIRT1CYP2C9CYP2C19HTTLMNA
SCHEMBL1190600 0.78 CYP2C9 (0.44) SIRT1S1PR1CYP2C9CYP2C19HTT
SCHEMBL628125 0.78 MAPK1 (0.54) CYP2C9CYP2C19HTTLMNAMAPK1

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 SIRT1 250/4885S1PR1 4710/4885CYP2C9 4420/4885

“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.