SCHEMBL18367607

SCHEMBL18367607

CC(C)(O)Cn1cc(C(C)(C)C)nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
DPP4 P27487 1/20 0.40
FFAR1 O14842 2/20 0.37
SMPD1 P17405 4/20 0.36
MDM4 O15151 1/20 0.35
TP53 P04637 1/20 0.35
MDM2 Q00987 1/20 0.35
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GGPS1 O95749 4/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
AR P10275 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
NR1H4 Q96RI1 1/20 0.31
IDO1 P14902 1/20 0.30
IDO2 Q6ZQW0 1/20 0.30
NEU4 Q8WWR8 1/20 0.30

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
SCHEMBL9889133 0.84 HRH4 (0.45) HRH4HRH3DPP4SMPD1MDM4
SCHEMBL16206206 0.81 HRH4 (0.43) HRH4HRH3DPP4SMPD1GABRA2
SCHEMBL18367570 0.81 HRH4 (0.43) HRH4HRH3DPP4SMPD1MDM4
SCHEMBL25757821 0.78 FFAR1 (0.38) DPP4FFAR1GGPS1
SCHEMBL12432229 0.78 HRH4 (0.46) HRH4HRH3DPP4SMPD1MDM4
SCHEMBL25067439 0.77 FFAR1 (0.37) FFAR1GGPS1
SCHEMBL16939742 0.77 HRH4 (0.50) HRH4HRH3DPP4SMPD1MDM4
SCHEMBL18823825 0.77 HRH4 (0.43) HRH4HRH3DPP4SMPD1GABRA2
SCHEMBL16263166 0.77 AR (0.41) HRH4HRH3DPP4SMPD1MDM4
SCHEMBL18367572 0.76 HRH4 (0.45) HRH4HRH3DPP4SMPD1MDM4

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 HRH4 2806/4885HRH3 2884/4885DPP4 3764/4885
US-20170008873-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS HRH4 2806/4885HRH3 2884/4885DPP4 3764/4885

“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.