SCHEMBL865095

SCHEMBL865095

C[C@@H](c1ccc(O)cc1F)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(F)(F)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.37
DPP4 P27487 4/20 0.35
DPP7 Q9UHL4 4/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
KCNH2 Q12809 2/20 0.35
HRH2 P25021 2/20 0.35
HRH1 P35367 2/20 0.35
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
CCR1 P32246 1/20 0.34
TSHR P16473 2/20 0.34
ALOX15 P16050 1/20 0.34
PREP P48147 1/20 0.33
DHODH Q02127 1/20 0.33
KDM4D Q6B0I6 1/20 0.33
MMP13 P45452 1/20 0.33
MMP14 P50281 1/20 0.33
ADAM17 P78536 1/20 0.33
ADAMTS5 Q9UNA0 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
SCHEMBL865096 1.00 TRPA1 (0.37) TRPA1DPP4DPP7KMT2AMEN1
SCHEMBL10101202 0.87 HRH2 (0.36) TRPA1DPP4DPP7KMT2AMEN1
SCHEMBL865128 0.85 DPP4 (0.36) TRPA1DPP4DPP7KMT2AMEN1
SCHEMBL865127 0.85 DPP4 (0.36) TRPA1DPP4DPP7KMT2AMEN1
SCHEMBL865637 0.82 MC4R (0.42) KMT2AMEN1
SCHEMBL865636 0.82 MC4R (0.42) KMT2AMEN1
SCHEMBL8276053 0.79 DPP4 (0.40) DPP4DPP7KMT2AMEN1HRH2
SCHEMBL13412178 0.79 DPP4 (0.40) DPP4DPP7KMT2AMEN1HRH2
SCHEMBL2893730 0.78 TRPA1 (0.43) TRPA1MAP1LC3BMAP1LC3A
SCHEMBL8076548 0.78 HRH2 (0.38) DPP4DPP7KCNH2HRH2HRH1

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-20120077793-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-29 US disclosed
US-20120077793-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-29 US disclosed
US-20120077793-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-29 US disclosed
WO-2010103333-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-09-16 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-20120077793-A1 Compounds for the Treatment of Metabolic Disorders GPR119, GPR132, FFAR2 TRPA1 1538/4885DPP4 217/4885DPP7 276/4885

“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.