SCHEMBL4926944

SCHEMBL4926944

CC(=O)SC[C@@H](Cc1ccccc1F)NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.54
CTSK P43235 1/20 0.54
PTPN1 P18031 1/20 0.48
SCN9A Q15858 8/20 0.45
ATM Q13315 1/20 0.45
CYP3A4 P08684 3/20 0.42
PPARG P37231 3/20 0.42
PPARA Q07869 3/20 0.42
APP P05067 3/20 0.42
PPARD Q03181 2/20 0.41

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
SCHEMBL5796601 1.00 CTSS (0.54) CTSSCTSKPTPN1SCN9AATM
SCHEMBL5796611 1.00 CTSS (0.54) CTSSCTSKPTPN1SCN9AATM
SCHEMBL10054505 0.86 SCN9A (0.42) CTSSCTSKPTPN1SCN9AATM
SCHEMBL4663069 0.84 CTSS (0.57) CTSSCTSKPTPN1SCN9AATM
SCHEMBL4922943 0.84 CTSS (0.60) CTSSCTSKPTPN1SCN9AATM
SCHEMBL4922934 0.84 CTSS (0.60) CTSSCTSKPTPN1SCN9AATM
SCHEMBL7029037 0.84 CTSS (0.60) CTSSCTSKPTPN1SCN9AATM
SCHEMBL8098623 0.83 ATM (0.64) CTSSCTSKATMCYP3A4PPARG
SCHEMBL26999155 0.83 ATM (0.64) CTSSCTSKATMCYP3A4PPARG
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.