SCHEMBL17386552

SCHEMBL17386552

CC(=O)c1ccc(OC(F)F)c(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.45
KIF11 P52732 1/20 0.44
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 2/20 0.43
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
EPHX2 P34913 1/20 0.41
HTT P42858 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL1924427 0.88 SCN9A (0.43) SCN9AKIF11AKR1C3AKR1C2RXRA
SCHEMBL16838795 0.88 KIF11 (0.48) SCN9AKIF11AKR1C3AKR1C2EPHX2
SCHEMBL30440283 0.88 RXRA (0.54) SCN9AKIF11AKR1C3AKR1C2RXRA
SCHEMBL17386570 0.88 RXRA (0.54) SCN9AKIF11AKR1C3AKR1C2RXRA
SCHEMBL26291340 0.85 NOTUM (0.56) RXRARXRBRXRGEPHX2HTT
SCHEMBL28035311 0.84 THRA (0.46) RXRARXRBRXRGEPHX2HTT
SCHEMBL79042 0.82 ALDH1A1 (0.50) SCN9AKIF11AKR1C3AKR1C2HTT
SCHEMBL29638900 0.82 ALDH1A1 (0.50) SCN9AKIF11AKR1C3AKR1C2HTT
SCHEMBL142851 0.82 PDE4D (0.54) HTTMEN1MAPTKMT2AKDM4E
SCHEMBL30108554 0.79 HTT (0.49) HTTMAPTKDM4ELMNASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2963036-B1 2-ACYLAMINOTHIAZOLE DERIVATIVE AND SALT THEREOF ASTELLAS PHARMA INC (JP) 2019-08-28 EP disclosed
US-9562044-B2 2-acylaminothiazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2017-02-07 US disclosed
US-20160002218-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2016-01-07 US disclosed
EP-2963036-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE AND SALT THEREOF Astellas Pharma Inc. (JP) 2016-01-06 EP 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-20160002218-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF CHRM3, CHRM2, CHRM5 SCN9A 2503/4885KIF11 2508/4885AKR1C3 767/4885

“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.