SCHEMBL3544629

SCHEMBL3544629

O=C(O)c1cccc(SCC(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.63
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
HPGD P15428 1/20 0.58
HSD17B10 Q99714 1/20 0.58
FOLH1 Q04609 2/20 0.47
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA6 P23280 1/20 0.43
CA9 Q16790 1/20 0.43
NR4A2 P43354 2/20 0.43
MRGPRX4 Q96LA9 2/20 0.43
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 1/20 0.41
KMO O15229 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
SCHEMBL30633020 0.85 PARP1 (0.47) APEX1CYP1A2CYP2C9HPGDHSD17B10
SCHEMBL6477315 0.83 APEX1 (0.63) APEX1CYP1A2CYP2C9HPGDHSD17B10
SCHEMBL3544600 0.81 LOXL2 (0.48) APEX1POLBMRGPRX4KMT2A
SCHEMBL29508729 0.77 CYP1A2 (0.63) APEX1CYP1A2CYP2C9HPGDHSD17B10
SCHEMBL5445177 0.77 APEX1 (1.00) APEX1CYP1A2CYP2C9HPGDHSD17B10
SCHEMBL879988 0.77 CYP1A2 (0.63) APEX1CYP1A2CYP2C9HPGDHSD17B10
SCHEMBL1991282 0.77 APEX1 (0.69) APEX1CYP1A2CYP2C9HPGDHSD17B10
SCHEMBL16344775 0.76 APEX1 (0.67) APEX1CYP1A2CYP2C9HPGDHSD17B10
SCHEMBL22926034 0.75 TPMT (0.50) APEX1CYP1A2CYP2C9HPGDHSD17B10
SCHEMBL28987625 0.75 CYP1A2 (0.56) APEX1CYP1A2CYP2C9HPGDHSD17B10

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 APEX1 3073/4885CYP1A2 3740/4885CYP2C9 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.