SCHEMBL496196

SCHEMBL496196

CNC[C@H](O)[C@@H](Cc1cc(F)ccc1F)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.42
KLK5 Q9Y337 2/20 0.42
CTSS P25774 3/20 0.41
CTSK P43235 3/20 0.41
GPR119 Q8TDV5 1/20 0.40
PTPN1 P18031 1/20 0.38
BACE1 P56817 2/20 0.37
CTSD P07339 1/20 0.37
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
RIPK1 Q13546 1/20 0.36
ATM Q13315 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL496197 1.00 SCN9A (0.42) SCN9AKLK5CTSSCTSKGPR119
SCHEMBL495865 0.88 KLK5 (0.43) SCN9AKLK5CTSSCTSKGPR119
SCHEMBL495863 0.88 KLK5 (0.43) SCN9AKLK5CTSSCTSKGPR119
SCHEMBL15062890 0.87 SCN9A (0.40) SCN9AKLK5CTSSCTSKGPR119
SCHEMBL496081 0.83 RIPK1 (0.41) SCN9AKLK5CTSSCTSKGPR119
SCHEMBL496083 0.83 RIPK1 (0.41) SCN9AKLK5CTSSCTSKGPR119
SCHEMBL8119510 0.81 BACE1 (0.51) KLK5BACE1CTSD
SCHEMBL10074464 0.80 SCN9A (0.49) SCN9ACTSSCTSKGPR119PTPN1
SCHEMBL12849500 0.78 SCN9A (0.45) SCN9ACTSSCTSKGPR119PTPN1
SCHEMBL10054499 0.78 SCN9A (0.45) SCN9ACTSSCTSKGPR119PTPN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910317-B1 1-AMINO LINKED COMPOUNDS LILLY CO ELI (US) 2013-07-03 EP disclosed
US-8106090-B2 Antidiabetic agents; prevent of non-insulin dependent diabetes ELI LILLY AND COMPANY (US) 2012-01-31 US disclosed
US-20080207735-A1 1-Amino Linked Compounds ELI LILLY AND COMPANY 2008-08-28 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-20080207735-A1 1-Amino Linked Compounds DPP4, DPP3, DPP9 SCN9A 467/4885KLK5 3927/4885CTSS 1095/4885

“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.