SCHEMBL3553864

SCHEMBL3553864

COc1cc(C(O)=S)cc(C(F)(F)F)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 5/20 0.42
LMNA P02545 4/20 0.42
GAA P10253 1/20 0.42
TPMT P51580 1/20 0.40
PKM P14618 1/20 0.38
HTT P42858 2/20 0.38
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTPN7 P35236 1/20 0.36
DUSP3 P51452 1/20 0.36
ALOX12 P18054 1/20 0.36
AURKA O14965 1/20 0.36
KDR P35968 1/20 0.36
AURKB Q96GD4 1/20 0.36
PDE4A P27815 1/20 0.36

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
SCHEMBL3547712 0.85 MAPT (0.44) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL3548210 0.85 MAPT (0.44) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL10510032 0.82 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL3553862 0.79 LMNA (0.47) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL3548155 0.78 SIRT1 (0.42) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL3547389 0.77 PPARA (0.38)
SCHEMBL3547710 0.76 MAPT (0.49) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL5204250 0.73 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL5204242 0.73 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL5240904 0.70 MEN1 (0.48) ALDH1A1KMT2AMEN1MAPTLMNA

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 ALDH1A1 2309/4885KMT2A 1078/4885MEN1 3834/4885

“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.