SCHEMBL19718366

SCHEMBL19718366

CC(C)(C)c1cc(C(C)(C)C)cc(C(O)(C(F)(F)F)C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.50
GABRB2 P47870 1/20 0.50
NR1H2 P55055 11/20 0.45
NR1H3 Q13133 11/20 0.45
RORA P35398 1/20 0.42
MEN1 O00255 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MLYCD O95822 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
AR P10275 2/20 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
SCHEMBL23059982 1.00 GABRA1 (0.50) GABRA1GABRB2NR1H2NR1H3RORA
SCHEMBL17719304 0.91 GABRA1 (0.43) GABRA1GABRB2NR1H2NR1H3RORA
SCHEMBL13095523 0.89 GABRA1 (0.41) GABRA1GABRB2NR1H2NR1H3RORA
SCHEMBL8586265 0.87 NR1H2 (0.48) NR1H2NR1H3RORAMEN1ALOX15
SCHEMBL19718414 0.86 GABRA1 (0.39) GABRA1GABRB2NR1H2NR1H3RORA
SCHEMBL19734501 0.82 ACHE (0.50) NR1H2NR1H3RORAMEN1ALOX15
SCHEMBL17717156 0.80 GABRA1 (0.50) GABRA1GABRB2ALOX15HSD17B10
SCHEMBL10215034 0.80 MLYCD (0.48) NR1H2NR1H3MEN1ALOX15TSHR
SCHEMBL18671898 0.80 NR1H2 (0.61) NR1H2NR1H3RORAMLYCDSMN1; SMN2
SCHEMBL11884233 0.79 CES2 (0.48) NR1H2NR1H3MEN1ALOX15TSHR

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-20180064690-A1 THIAZOLES AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2018-03-08 US disclosed
US-9845319-B2 Amide substituted thiazoles as modulators of RORyt Janssen Pharmaceutiuca NV (BE) 2017-12-19 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-20180064690-A1 THIAZOLES AS MODULATORS OF RORyt RORC, RORB, RORA GABRA1 1893/4885GABRB2 2158/4885NR1H2 5/4885

“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.