SCHEMBL4896795

SCHEMBL4896795

CC(C)(C)N(C(=O)O)[C@@H](CC(=O)NC1Cc2ncccc2N(Cc2ccc(S(C)(=O)=O)cc2)C1=O)Cc1ccccc1F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.37
BCL2L11 O43521 1/20 0.35
BCL2 P10415 1/20 0.35
MCL1 Q07820 1/20 0.35
DPP4 P27487 1/20 0.34
TNKS O95271 2/20 0.32
TNKS2 Q9H2K2 2/20 0.32
BRD4 O60885 1/20 0.32
BDKRB1 P46663 1/20 0.32
AGTR1 P30556 1/20 0.32
GHSR Q92847 1/20 0.32
XIAP P98170 1/20 0.31
RIPK1 Q13546 1/20 0.31
ENPP2 Q13822 1/20 0.31

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
SCHEMBL4896133 0.93 SCN9A (0.39) SCN9AAGTR1GHSRXIAPRIPK1
SCHEMBL4890017 0.91 SCN9A (0.38) SCN9AXIAPRIPK1
SCHEMBL4892448 0.89 SCN9A (0.38) SCN9A
SCHEMBL4887238 0.86 SCN9A (0.36) SCN9AXIAPRIPK1
SCHEMBL4889229 0.86 SCN9A (0.35) SCN9AAGTR1GHSRXIAP
Hydrochloric Acid SCHEMBL4896571 0.85 DPP4 (0.42) SCN9ABCL2L11BCL2MCL1DPP4
SCHEMBL4895620 0.85 SCN9A (0.44) SCN9ARIPK1
SCHEMBL4891101 0.84 ALDH1A1 (0.38) SCN9A
SCHEMBL4887286 0.77 RIPK1 (0.37) SCN9ADPP4RIPK1
SCHEMBL8274757 0.77 DPP4 (0.44) BCL2L11BCL2MCL1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes ASTRAZENECA AB (SE) 2008-01-10 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-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes DPP4, DPP8, DPP3 SCN9A 718/4885BCL2L11 4110/4885BCL2 3449/4885

“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.