SCHEMBL4923623

SCHEMBL4923623

CC(C)(C)OC(=O)N[C@H](Cc1ccccc1F)CS(=O)(=O)Cl

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.54
CTSK P43235 3/20 0.54
PTPN1 P18031 1/20 0.46
SCN9A Q15858 12/20 0.45
ATM Q13315 1/20 0.45
SCN10A Q9Y5Y9 1/20 0.39
MMP13 P45452 1/20 0.39
AAK1 Q2M2I8 1/20 0.39
MITF O75030 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL4917142 0.89 CTSS (0.55) CTSSCTSKPTPN1SCN9AATM
SCHEMBL4917131 0.89 CTSS (0.55) CTSSCTSKPTPN1SCN9AATM
SCHEMBL4922943 0.84 CTSS (0.60) CTSSCTSKPTPN1SCN9AATM
SCHEMBL4922934 0.84 CTSS (0.60) CTSSCTSKPTPN1SCN9AATM
SCHEMBL7029037 0.84 CTSS (0.60) CTSSCTSKPTPN1SCN9AATM
SCHEMBL26999158 0.83 ATM (0.64) CTSSCTSKATMLMNAMAPT
SCHEMBL4915481 0.83 CTSS (0.53) CTSSCTSKPTPN1SCN9AATM
SCHEMBL4915478 0.83 CTSS (0.53) CTSSCTSKPTPN1SCN9AATM
SCHEMBL4915475 0.83 CTSS (0.53) CTSSCTSKPTPN1SCN9AATM
SCHEMBL17015 0.82 CTSS (0.60) CTSSCTSKPTPN1SCN9AATM

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-20080275086-A1 Dpp-Iv Inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2008-11-06 US disclosed
US-20080275086-A1 Dpp-Iv Inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2008-11-06 US disclosed
US-20080275086-A1 Dpp-Iv Inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2008-11-06 US disclosed
EP-1702916-A1 DPP-IV inhibitors Santhera Pharmaceuticals (Schweiz) GmbH (CH) 2006-09-20 EP disclosed
EP-1702916-A1 DPP-IV inhibitors Santhera Pharmaceuticals (Schweiz) GmbH (CH) 2006-09-20 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-20080275086-A1 Dpp-Iv Inhibitors DPP4, DPP7, DPP3 CTSS 271/4885CTSK 124/4885PTPN1 335/4885

“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.