SCHEMBL1980647

SCHEMBL1980647

CC(C)(C)OC(=O)NC(CC(N)=S)C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.54
KLK5 Q9Y337 2/20 0.52
KLK7 P49862 1/20 0.52
CTSS P25774 4/20 0.51
SYK P43405 1/20 0.51
CACNA1B Q00975 5/20 0.51
CTSK P43235 3/20 0.49
PPARG P37231 2/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
TACR1 P25103 1/20 0.48
ACE P12821 1/20 0.47

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
SCHEMBL1980648 1.00 PPARA (0.54) PPARAKLK5KLK7CTSSSYK
SCHEMBL24073320 0.91 SYK (0.54) PPARAKLK5KLK7CTSSSYK
SCHEMBL7965696 0.90 PPARA (0.56) PPARAKLK5KLK7CTSSSYK
SCHEMBL7297130 0.90 PPARA (0.56) PPARAKLK5KLK7CTSSSYK
SCHEMBL3004720 0.88 PPARA (0.58) PPARAKLK5KLK7CTSSSYK
SCHEMBL1093029 0.88 PPARA (0.58) PPARAKLK5KLK7CTSSSYK
SCHEMBL5033775 0.88 PPARA (0.58) PPARAKLK5KLK7CTSSSYK
SCHEMBL14211452 0.86 PPARA (0.57) PPARAKLK5KLK7CTSSSYK
SCHEMBL4370045 0.86 KLK5 (0.65) PPARAKLK5KLK7CTSSSYK
SCHEMBL20144655 0.85 CACNA1B (0.59) PPARAKLK5KLK7CTSSSYK

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
EP-2513054-B1 BICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 JANSSEN PHARMACEUTICA NV (BE) 2016-03-09 EP disclosed
US-8552032-B2 Bicyclic derivatives useful as inhibitors of DPP-1 JANSSEN PHARMACEUTICA NV (BE) 2013-10-08 US disclosed
EP-2513054-A1 BICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 Janssen Pharmaceutica, N.V. (BE) 2012-10-24 EP disclosed
US-20110152321-A1 BICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 JANSSEN PHARMACEUTICA (BE) 2011-06-23 US disclosed
WO-2011075634-A1 BICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 WO 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-20110152321-A1 BICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 DPP4, DPP7, DPP3 PPARA 368/4885KLK5 3521/4885KLK7 4220/4885

“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.