SCHEMBL1345707

SCHEMBL1345707

C[C@@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1Br

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.43
AAK1 Q2M2I8 6/20 0.43
TRPA1 O75762 1/20 0.42
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL1345706 1.00 GPR139 (0.43) GPR139AAK1TRPA1CTSSCTSK
SCHEMBL17041588 0.86 TRPA1 (0.44) GPR139AAK1TRPA1CTSSCTSK
SCHEMBL31706042 0.84 PPARG (0.41) AAK1PPARG
SCHEMBL27796927 0.84 GABRB1 (0.41) AAK1TRPA1CTSSCTSKTSHR
SCHEMBL31705557 0.84 PPARG (0.41) AAK1PPARG
SCHEMBL30493109 0.84 TRPA1 (0.42) AAK1TRPA1CTSSCTSKTSHR
SCHEMBL31733775 0.84 CYP1A2 (0.50) AAK1PPARG
SCHEMBL2441134 0.83 MAPT (0.41) AAK1TRPA1CTSSCTSKTSHR
SCHEMBL29945748 0.83 TRPA1 (0.41) AAK1TRPA1CTSSCTSKTSHR
SCHEMBL31733813 0.83 MAPT (0.41) AAK1TRPA1CTSSCTSKTSHR

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-8063035-B2 Triazolyl aminopyrimidine compounds ELI LILLY AND COMPANY (US) 2011-11-22 US disclosed
US-20100087431-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY 2010-04-08 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-20100087431-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS DPYD, TP53, TYMP GPR139 4010/4885AAK1 1933/4885TRPA1 3529/4885

“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.