SCHEMBL3545842

SCHEMBL3545842

COC(=O)C1CCCN1C(=S)c1cc(OC)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.46
HCRTR2 O43614 2/20 0.46
ADCY8 P40145 2/20 0.43
ADCY1 Q08828 2/20 0.43
RHOA P61586 2/20 0.43
PDK2 Q15119 1/20 0.43
FKBP1A P62942 1/20 0.43
PEPD P12955 1/20 0.42
RHOC P08134 1/20 0.41
GAA P10253 2/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
USP2 O75604 1/20 0.38
CYP3A4 P08684 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL3545845 1.00 HCRTR1 (0.46) HCRTR1HCRTR2ADCY8ADCY1RHOA
SCHEMBL3552980 0.93 ADCY8 (0.42) HCRTR1HCRTR2ADCY8ADCY1RHOA
SCHEMBL3552983 0.93 ADCY8 (0.42) HCRTR1HCRTR2ADCY8ADCY1RHOA
SCHEMBL201022 0.89 HCRTR1 (0.46) HCRTR1HCRTR2ADCY8ADCY1RHOA
SCHEMBL3543791 0.89 HCRTR1 (0.46) HCRTR1HCRTR2ADCY8ADCY1RHOA
SCHEMBL5271173 0.85 PDK2 (0.44) HCRTR1HCRTR2RHOAPDK2RHOC
SCHEMBL3544517 0.85 PDK2 (0.44) HCRTR1HCRTR2RHOAPDK2RHOC
SCHEMBL3547033 0.83 POLB (0.48) HCRTR1HCRTR2PDK2GAAPOLB
SCHEMBL3547030 0.83 POLB (0.48) HCRTR1HCRTR2PDK2GAAPOLB
SCHEMBL3544853 0.83 HCRTR1 (0.41) HCRTR1HCRTR2ADCY8ADCY1RHOA

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 HCRTR1 1763/4885HCRTR2 1893/4885ADCY8 1481/4885

“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.