SCHEMBL4131683

SCHEMBL4131683

COc1cccc(Sc2sc(CN(C)C(=O)O)nc2-c2ccccc2F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
DYRK1A Q13627 3/20 0.39
CLK1 P49759 2/20 0.39
GAA P10253 2/20 0.38
MAPT P10636 1/20 0.38
HSD17B2 P37059 2/20 0.38
DHFR P00374 1/20 0.38
EGFR P00533 1/20 0.38
PDGFRB P09619 1/20 0.38
KDR P35968 1/20 0.38
CLK2 P49760 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
P4HB P07237 1/20 0.35

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
SCHEMBL4137738 0.89 EDNRA (0.37) EDNRAPTGDR2DYRK1ACLK1HSD17B2
SCHEMBL4125425 0.88 ALDH1A1 (0.36) GAAMAPTHSD17B2SMN1; SMN2
SCHEMBL3807952 0.87 MAPT (0.33) MAPTHTTSMN1; SMN2
SCHEMBL4120348 0.87 PPARG (0.35) DYRK1ACLK1MAPTHSD17B2HTT
SCHEMBL4131857 0.85 MAPT (0.31) MAPTSMN1; SMN2
SCHEMBL4024747 0.85 PTGDR2 (0.35) EDNRAPTGDR2DYRK1ACLK1GAA
SCHEMBL4024754 0.83 PTGDR2 (0.36) EDNRAPTGDR2GAAMAPTHSD17B2
SCHEMBL4131691 0.83 MAPT (0.41) EDNRAPTGDR2CLK1GAAMAPT
SCHEMBL2839244 0.82 EDNRA (0.42) EDNRADYRK1ACLK1GAAHSD17B2
SCHEMBL4126512 0.81 KDM4E (0.38) HTTSMN1; SMN2MEN1KMT2A

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
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 EDNRA 4381/4885PTGDR2 1159/4885DYRK1A 4742/4885

“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.