SCHEMBL3545605

SCHEMBL3545605

COc1ccc(C(=S)N2CC[C@@H]2C(=O)NO)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
PKM P14618 1/20 0.44
NPY2R P49146 1/20 0.42
HPGD P15428 3/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 3/20 0.39
MAPK1 P28482 1/20 0.39
SIRT1 Q96EB6 1/20 0.38
PDE4D Q08499 1/20 0.38
RBP4 P02753 1/20 0.38
ALOX15 P16050 1/20 0.38
MMP2 P08253 1/20 0.37
ANPEP P15144 1/20 0.37
GAA P10253 1/20 0.37
PTPN7 P35236 1/20 0.37
DUSP3 P51452 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37

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
SCHEMBL3545602 1.00 ALDH1A1 (0.44) ALDH1A1PKMNPY2RHPGDHSD17B10
SCHEMBL3543733 0.94 ALDH1A1 (0.43) ALDH1A1PKMNPY2RHPGDHSD17B10
SCHEMBL202009 0.94 ALDH1A1 (0.43) ALDH1A1PKMNPY2RHPGDHSD17B10
SCHEMBL3546497 0.89 PDK2 (0.45) ALDH1A1PKMNPY2RHPGDHSD17B10
SCHEMBL3546495 0.89 PDK2 (0.45) ALDH1A1PKMNPY2RHPGDHSD17B10
SCHEMBL3547350 0.89 POLB (0.42) ALDH1A1HPGDHSD17B10KMT2ALMNA
SCHEMBL3547352 0.89 POLB (0.42) ALDH1A1HPGDHSD17B10KMT2ALMNA
SCHEMBL3545848 0.88 SCN9A (0.39) ALDH1A1PKMKMT2AMEN1MAPT
SCHEMBL3545850 0.88 SCN9A (0.39) ALDH1A1PKMKMT2AMEN1MAPT
SCHEMBL3554198 0.87 THRA (0.41) ALDH1A1HPGDHSD17B10PTPN7DUSP3

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 ALDH1A1 2309/4885PKM 4091/4885NPY2R 2568/4885

“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.