SCHEMBL4884701

SCHEMBL4884701

CS(=O)(=O)c1ccc(-c2noc(CC(CN)c3ccccc3F)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 3/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.39
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
HDAC4 P56524 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PTGS2 P35354 1/20 0.37
LMNA P02545 1/20 0.37
NR2F2 P24468 1/20 0.37
STAT3 P40763 1/20 0.37
SCN5A Q14524 2/20 0.37
SCN10A Q9Y5Y9 2/20 0.37

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
SCHEMBL4887744 0.85 NOTUM (0.51) SMN1; SMN2NPSR1TDP1MAPTHTT
SCHEMBL8469388 0.81 SCN5A (0.46) SMN1; SMN2NPSR1TDP1MAPTHTT
SCHEMBL4888769 0.80 S1PR1 (0.38) SMN1; SMN2MAPTHTTTSHRMAPK1
SCHEMBL4888645 0.77 GRM5 (0.46) SMN1; SMN2NPSR1TDP1MAPTMAPK1
SCHEMBL4885911 0.75 NPC1 (0.57) SMN1; SMN2NPSR1MAPTHTTTSHR
SCHEMBL5178277 0.74 NPSR1 (0.43) SMN1; SMN2NPSR1TDP1MAPTHTT
SCHEMBL4888552 0.74 CA2 (0.39) CA2CA9CA12CA1TP53
SCHEMBL4884698 0.72 MAPT (0.49) SMN1; SMN2MAPTTSHRKMT2ACA2
SCHEMBL4891054 0.72 CA9 (0.49) MAPTCA2CA9CA12CA1
SCHEMBL4891052 0.71 CA9 (0.51) CA2CA9CA12CA1SCN5A

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
US-20080064728-A1 Heterocyclic Compounds Useful as Dpp-Iv Inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2008-03-13 US disclosed
EP-1623983-A1 Heterocyclic compounds useful as DPP-IV inhibitors Santhera Pharmaceuticals (Deutschland) Aktiengesellschaft (DE) 2006-02-08 EP 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-20080064728-A1 Heterocyclic Compounds Useful as Dpp-Iv Inhibitors DPP4, DPP7, DPP3 SMN1; SMN2 4481/4885NPSR1 157/4885TDP1 3145/4885

“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.