SCHEMBL5449342

SCHEMBL5449342

NC(=O)C(OC=O)c1nccs1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
CTSA P10619 14/20 0.33
TSHR P16473 1/20 0.31
NOS1 P29475 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ADAM17 P78536 1/20 0.31
GLS O94925 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
SCHEMBL5458252 0.85 CTSA (0.36) ALDH1A1CTSA
SCHEMBL5455885 0.79 ALDH1A1 (0.43) ALDH1A1CTSA
SCHEMBL5449339 0.77 CTSA (0.33) ALDH1A1CTSATSHRNOS1HSD17B10
SCHEMBL31079263 0.77 ALDH1A1 (0.41) ALDH1A1CTSAHSD17B10
SCHEMBL5585939 0.77 ALDH1A1 (0.43) ALDH1A1CTSATSHRNOS1HSD17B10
SCHEMBL7470027 0.74 NPC1 (0.42) ALDH1A1CTSAHSD17B10
SCHEMBL27532419 0.73 MAPKAPK2 (0.35) ALDH1A1CTSATSHRNOS1HSD17B10
SCHEMBL28275811 0.73 ALDH1A1 (0.33) ALDH1A1CTSATSHRNOS1HSD17B10
SCHEMBL10591999 0.72 ALDH1A1 (0.39) ALDH1A1CTSATSHRNOS1HSD17B10
SCHEMBL7686450 0.72 ALDH1A1 (0.39) ALDH1A1CTSATSHRNOS1HSD17B10

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
US-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 US disclosed
EP-1678138-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV Takeda Pharmaceutical Company Limited (JP) 2006-07-12 EP disclosed
WO-2005042488-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 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-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV DPP4, DPP3, PEPD ALDH1A1 743/4885CTSA 1278/4885TSHR 1907/4885

“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.