SCHEMBL3547172

SCHEMBL3547172

C=CCCOc1ccc(C(=S)N2CC[C@@H]2C(=O)OC)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.39
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
SCN9A Q15858 2/20 0.35
ALDH1A1 P00352 3/20 0.34
SPHK2 Q9NRA0 2/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
GAA P10253 1/20 0.33
SSTR4 P31391 1/20 0.33
PKM P14618 1/20 0.33
S1PR1 P21453 2/20 0.33
LRRK2 Q5S007 1/20 0.33

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
SCHEMBL3547169 1.00 PDK2 (0.39) PDK2THRATHRBSCN9AALDH1A1
SCHEMBL3541117 0.91 PDK2 (0.40) PDK2SCN9AALDH1A1RXRARXRB
SCHEMBL3541113 0.91 PDK2 (0.40) PDK2SCN9AALDH1A1RXRARXRB
SCHEMBL3545709 0.89 SCN9A (0.36) THRATHRBSCN9ASPHK2RXRA
SCHEMBL3545708 0.89 SCN9A (0.36) THRATHRBSCN9ASPHK2RXRA
SCHEMBL3546548 0.89 THRA (0.42) PDK2THRATHRBSCN9AALDH1A1
SCHEMBL3546552 0.89 THRA (0.42) PDK2THRATHRBSCN9AALDH1A1
SCHEMBL3543933 0.88 THRA (0.46) PDK2THRATHRBSCN9AALDH1A1
SCHEMBL3543929 0.88 THRA (0.46) PDK2THRATHRBSCN9AALDH1A1
SCHEMBL3556389 0.87 PDK2 (0.39) PDK2THRATHRBSCN9AALDH1A1

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 2 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

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 PDK2 2445/4885THRA 2239/4885THRB 2792/4885

“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.