SCHEMBL2228720

SCHEMBL2228720

COCNC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.63
CA5A P35218 1/20 0.63
CTSS P25774 4/20 0.61
CTSL P07711 3/20 0.61
CTSB P07858 3/20 0.59
CA1 P00915 1/20 0.58
CTSD P07339 2/20 0.57
CTSK P43235 4/20 0.55
CASP3 P42574 2/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
CASP9 P55211 1/20 0.54
CASP6 P55212 1/20 0.54
CASP8 Q14790 1/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
LMNA P02545 1/20 0.54
ELANE P08246 1/20 0.53
PRTN3 P24158 1/20 0.53

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
SCHEMBL6476825 0.89 CTSS (0.61) CA2CA5ACTSSCTSLCTSB
SCHEMBL4075762 0.88 CTSS (0.65) CA2CA5ACTSSCTSLCTSB
SCHEMBL16488980 0.88 CTSL (0.59) CA2CA5ACTSSCTSLCTSB
SCHEMBL16488984 0.88 CTSL (0.59) CA2CA5ACTSSCTSLCTSB
SCHEMBL11672300 0.87 CTSD (0.71) CA2CA5ACTSSCTSLCTSB
SCHEMBL14401772 0.87 CTSD (0.71) CA2CA5ACTSSCTSLCTSB
SCHEMBL14066711 0.86 CTSL (0.60) CA2CA5ACTSSCTSLCTSB
SCHEMBL20905670 0.86 CTSL (0.60) CA2CA5ACTSSCTSLCTSB
SCHEMBL26292061 0.86 CTSL (0.60) CA2CA5ACTSSCTSLCTSB
SCHEMBL2119163 0.86 CTSL (0.62) CA2CA5ACTSSCTSLCTSB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2526116-B1 PYRUVAMIDE COMPOUNDS AS INHIBITORS OF DUST MITE GROUP 1 PEPTIDASE ALLERGEN ST GEORGES HOSP MEDICAL SCHOOL (GB) 2015-05-13 EP disclosed
US-8637453-B2 Pyruvamide compounds as inhibitors of dust mite group 1 peptidase allergen and their use ST GEORGE'S HOSPITAL MEDICAL SCHOOL (GB) 2014-01-28 US disclosed
US-8541363-B2 Pyruvamide compounds as inhibitors of dust mite group 1 peptidase allergen and their use St George's Hosptial Medical School (GB) 2013-09-24 US disclosed
US-20130217617-A1 Pyruvamide Compounds as Inhibitors of Dust Mite Group 1 Peptidase Allergen and Their Use THE UNIVERSITY OF MANCHESTER (GB) 2013-08-22 US disclosed
US-20120322722-A1 Pyruvamide Compounds as Inhibitors of Dust Mite Group 1 Peptidase Allergen and Their Use THE UNIVERSITY OF MANCHESTER (GB) 2012-12-20 US disclosed
WO-2011089396-A2 PYRUVAMIDE COMPOUNDS AS INHIBITORS OF DUST MITE GROUP 1 PEPTIDASE ALLERGEN AND THEIR USE. ST GEORGE'S HOSPITAL MEDICAL SCHOOL (GB) 2011-07-28 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 (2 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-20130217617-A1 Pyruvamide Compounds as Inhibitors of Dust Mite Group 1 Peptidase Allergen and Their Use PREP, DPEP1, DPP8 CA2 507/4885CA5A 1015/4885CTSS 288/4885
US-20120322722-A1 Pyruvamide Compounds as Inhibitors of Dust Mite Group 1 Peptidase Allergen and Their Use PREP, DPEP1, PEPD CA2 564/4885CA5A 1118/4885CTSS 440/4885

“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.