SCHEMBL16469413

SCHEMBL16469413

CC(C)OC(=O)C(Cc1ccc(N)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.49
CTSK P43235 6/20 0.49
KLK5 Q9Y337 1/20 0.48
CTSB P07858 2/20 0.48
CTSL P07711 1/20 0.48
ITGB3 P05106 2/20 0.47
ITGA2B P08514 2/20 0.47
ACE P12821 1/20 0.46
PPARA Q07869 2/20 0.45
ITGB1 P05556 1/20 0.44
ITGAV P06756 1/20 0.44
ITGB5 P18084 1/20 0.44
REN P00797 1/20 0.44
PPARG P37231 1/20 0.43
EPHX2 P34913 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
AKT1 P31749 1/20 0.43

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
SCHEMBL19235542 1.00 CTSS (0.49) CTSSCTSKKLK5CTSBCTSL
SCHEMBL9957413 0.90 CTSS (0.49) CTSSCTSKKLK5CTSBCTSL
SCHEMBL9957411 0.90 CTSS (0.49) CTSSCTSKKLK5CTSBCTSL
SCHEMBL10143850 0.90 CTSS (0.53) CTSSCTSKKLK5CTSBCTSL
SCHEMBL6675710 0.90 CTSS (0.53) CTSSCTSKKLK5CTSBCTSL
SCHEMBL31321421 0.90 CTSS (0.53) CTSSCTSKKLK5CTSBCTSL
SCHEMBL16459373 0.89 PPARA (0.51) CTSSCTSKKLK5CTSBCTSL
SCHEMBL16459371 0.89 PPARA (0.51) CTSSCTSKKLK5CTSBCTSL
SCHEMBL16470394 0.89 CTSS (0.62) CTSSCTSKKLK5CTSBCTSL
SCHEMBL3498608 0.88 KLK5 (0.60) CTSSCTSKKLK5CTSBCTSL

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
WO-2017135472-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME EAファーマ株式会社 2017-08-10 WO disclosed
US-9533985-B2 Sulfonamide derivative and medicinal use thereof EA PHARMA CO., LTD. (JP) 2017-01-03 US disclosed
EP-2842945-B1 SULFONAMIDE DERIVATIVE AND MEDICINAL USE THEREOF EA PHARMA CO LTD (JP) 2016-10-26 EP disclosed
EP-2842945-A1 SULFONAMIDE DERIVATIVE AND MEDICINAL USE THEREOF AJINOMOTO CO., INC. (JP) 2015-03-04 EP disclosed
US-20150051395-A1 SULFONAMIDE DERIVATIVE AND MEDICINAL USE THEREOF AJINOMOTO CO., LTD. (JP) 2015-02-19 US 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-20150051395-A1 SULFONAMIDE DERIVATIVE AND MEDICINAL USE THEREOF ITGB4, ITGA4, ITGA2 CTSS 1999/4885CTSK 3803/4885KLK5 3064/4885

“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.