SCHEMBL15077166

SCHEMBL15077166

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRB2 P47870 2/20 0.46
GABRA1 P14867 1/20 0.46
CES2 O00748 1/20 0.41
KIF11 P52732 1/20 0.41
POLB P06746 1/20 0.37
IDO1 P14902 2/20 0.37
MAPT P10636 2/20 0.36
RAPGEF4 Q8WZA2 2/20 0.36
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
XPO1 O14980 1/20 0.34
AR P10275 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
TACR1 P25103 1/20 0.33
GABRA2 P47869 1/20 0.33
ADRB1 P08588 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
RAPGEF3 O95398 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
SCHEMBL16234266 0.92 CES2 (0.46) CES2KIF11IDO1MAPTRAPGEF4
SCHEMBL1104677 0.92 GABRB2 (0.52) GABRB2GABRA1CES2KIF11POLB
SCHEMBL22861023 0.92 GABRB2 (0.52) GABRB2GABRA1CES2KIF11POLB
SCHEMBL21715549 0.87 GABRA1 (0.44) GABRB2GABRA1CES2KIF11POLB
SCHEMBL1754077 0.82 GABRA1 (0.44) GABRB2GABRA1CES2KIF11POLB
SCHEMBL12553838 0.82 GABRA1 (0.44) GABRB2GABRA1KIF11POLBMAPT
SCHEMBL15726891 0.82 GABRA1 (0.44) GABRB2GABRA1KIF11POLBMAPT
SCHEMBL3439602 0.82 RAPGEF4 (0.48) GABRB2GABRA1CES2KIF11POLB
SCHEMBL12722384 0.82 RAPGEF4 (0.48) CES2KIF11IDO1MAPTRAPGEF4
SCHEMBL18077879 0.80 GABRB2 (0.42) GABRB2GABRA1CES2KIF11POLB

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
US-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-12-21 US disclosed
US-9815818-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2017-11-14 US disclosed
US-20170008873-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-01-12 US disclosed
US-20130165440-A1 JAK1 Inhibitors EXELIXIS, INC. (US) 2013-06-27 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 (3 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-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS GABRB2 840/4885GABRA1 1992/4885CES2 900/4885
US-20130165440-A1 JAK1 Inhibitors JAK1, JAK2, JAK3 GABRB2 3006/4885GABRA1 1418/4885CES2 4780/4885
US-20170008873-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS GABRB2 840/4885GABRA1 1992/4885CES2 900/4885

“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.