SCHEMBL4958129

SCHEMBL4958129

CC(C)(C)OC(=O)NC(CCc1cccc(Cl)c1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.62
CTSK P43235 7/20 0.56
CTSS P25774 6/20 0.56
ACE P12821 1/20 0.53
PPARA Q07869 6/20 0.51
PPARG P37231 5/20 0.51
CTSB P07858 3/20 0.47
PPARD Q03181 2/20 0.47
FOLH1 Q04609 1/20 0.45
ITGB3 P05106 1/20 0.45
ITGB1 P05556 1/20 0.45
ITGAV P06756 1/20 0.45
ITGA2B P08514 1/20 0.45
ITGB5 P18084 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL31407513 1.00 CTSL (0.62) CTSLCTSKCTSSACEPPARA
SCHEMBL30461919 0.88 CTSL (0.74) CTSLCTSKCTSSACEPPARA
SCHEMBL3553561 0.88 CTSL (0.74) CTSLCTSKCTSSACEPPARA
SCHEMBL1519629 0.88 CTSL (0.74) CTSLCTSKCTSSACEPPARA
SCHEMBL1519627 0.88 CTSL (0.74) CTSLCTSKCTSSACEPPARA
SCHEMBL12305798 0.87 CTSK (0.57) CTSLCTSKCTSSACEPPARA
SCHEMBL21409100 0.87 CTSK (0.57) CTSLCTSKCTSSACEPPARA
SCHEMBL8241449 0.87 CTSK (0.57) CTSLCTSKCTSSACEPPARA
SCHEMBL181807 0.86 CTSK (0.71) CTSLCTSKCTSSACEPPARA
SCHEMBL181775 0.86 CTSK (0.71) CTSLCTSKCTSSACEPPARA

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-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 US disclosed
EP-1613304-B1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS CH (CH) 2007-09-12 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-20080027035-A1 Dpp-Iv Inhibitors DPP4, DPP7, DPP3 CTSL 128/4885CTSK 426/4885CTSS 505/4885

“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.