SCHEMBL2579129

SCHEMBL2579129

NC(=O)N(S)c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.40
GRM4 Q14833 1/20 0.39
NR3C2 P08235 1/20 0.39
EPHX1 P07099 1/20 0.37
KMO O15229 2/20 0.37
AR P10275 2/20 0.37
VNN1 O95497 2/20 0.36
RPS6KB1 P23443 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
TAS1R2 Q8TE23 2/20 0.35
NOTUM Q6P988 1/20 0.35
KCNN4 O15554 2/20 0.35
MPL P40238 1/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
KCNE1 P15382 1/20 0.34
KCNQ1 P51787 1/20 0.34

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
SCHEMBL4925552 0.83 HTR3E (0.46) GRM4
SCHEMBL28217568 0.78 GRM4 (0.43) HDAC8GRM4NR3C2KMOAR
SCHEMBL27754771 0.78 ESR1 (0.43) HDAC8GRM4NR3C2EPHX1KMO
SCHEMBL525760 0.74 CES2 (0.45)
SCHEMBL6082303 0.73 MCL1 (0.50) NR3C2AR
SCHEMBL2575833 0.72 CES2 (0.47) EPHX1
SCHEMBL3425381 0.72 THRA (0.54)
SCHEMBL7570589 0.72 AR (0.44) HDAC8GRM4ARVNN1KCNQ3
SCHEMBL725811 0.72 MAPT (0.32)
SCHEMBL320721 0.71 KCNN4 (0.42) KCNN4

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
EP-1926719-B1 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-05-31 EP disclosed
US-9388175-B2 2-aniline-4-aryl substituted thiazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2016-07-12 US disclosed
US-20110269748-A1 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2011-11-03 US disclosed
EP-1926719-A2 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-04 EP disclosed
WO-2007031440-A2 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-22 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-20110269748-A1 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES CHRNA4, CHRNA5, CHRNA7 HDAC8 1105/4885GRM4 217/4885NR3C2 54/4885

“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.