SCHEMBL4888764

SCHEMBL4888764

CC(C)(C)OC(=O)N[C@@H](Cc1nc(-c2ccc(S(C)(=O)=O)cc2)no1)Cc1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
PTPN1 P18031 1/20 0.39
SCN9A Q15858 7/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 3/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.37
PTGS2 P35354 1/20 0.37
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 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
SCHEMBL4888547 0.92 CTSS (0.42) CTSSCTSKPTPN1SCN9ATP53
SCHEMBL4890495 0.90 CTSS (0.52) CTSSCTSKPTPN1SCN9AMAPT
SCHEMBL5178277 0.87 NPSR1 (0.43) TP53MAPTTSHRKMT2APTGS2
SCHEMBL4880795 0.83 CTSS (0.45) CTSSCTSKPTPN1SCN9ATP53
SCHEMBL4886292 0.81 NPC1 (0.47) CTSSCTSKPTPN1SCN9ATP53
SCHEMBL4888769 0.81 S1PR1 (0.38) CTSSCTSKTP53MAPTTSHR
SCHEMBL6020572 0.78 DPP4 (0.51)
SCHEMBL4954110 0.78 DPP4 (0.51)
SCHEMBL14282808 0.78 DPP4 (0.51)
SCHEMBL8469388 0.77 SCN5A (0.46) MAPTTSHRKMT2APTGS2HDAC4

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 5 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
US-20080064728-A1 Heterocyclic Compounds Useful as Dpp-Iv Inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2008-03-13 US disclosed
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
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 CTSS 297/4885CTSK 317/4885PTPN1 1029/4885

“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.