SCHEMBL3546552

SCHEMBL3546552

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDK2 Q15119 2/20 0.41
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SCN9A Q15858 2/20 0.37
SPHK2 Q9NRA0 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
SLC9A1 P19634 1/20 0.36
CYP2C19 P33261 1/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35

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
SCHEMBL3546548 1.00 THRA (0.42) THRATHRBHPGDHSD17B10PDK2
SCHEMBL3543933 0.95 THRA (0.46) THRATHRBHPGDHSD17B10PDK2
SCHEMBL3543929 0.95 THRA (0.46) THRATHRBHPGDHSD17B10PDK2
SCHEMBL3544342 0.92 SMN1; SMN2 (0.43) HPGDPDK2ALDH1A1SMN1; SMN2SCN9A
SCHEMBL3544340 0.92 SMN1; SMN2 (0.43) HPGDPDK2ALDH1A1SMN1; SMN2SCN9A
SCHEMBL3550927 0.90 PDK2 (0.42) PDK2ALDH1A1SCN9ACYP2C9CYP2C19
SCHEMBL3550931 0.90 PDK2 (0.42) PDK2ALDH1A1SCN9ACYP2C9CYP2C19
SCHEMBL3554198 0.89 THRA (0.41) THRATHRBHPGDHSD17B10PDE3B
SCHEMBL3554195 0.89 THRA (0.41) THRATHRBHPGDHSD17B10PDE3B
SCHEMBL3547172 0.89 PDK2 (0.39) THRATHRBPDK2ALDH1A1SCN9A

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 THRA 2239/4885THRB 2792/4885HPGD 688/4885

“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.