SCHEMBL2226202

SCHEMBL2226202

CC(C)C(NC(=O)OCc1ccccc1)[C@H](O)C#N

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 14/20 0.59
CTSL P07711 14/20 0.59
CTSB P07858 10/20 0.58
CTSK P43235 9/20 0.58
ELANE P08246 1/20 0.54
TACR1 P25103 1/20 0.52
ATM Q13315 1/20 0.51

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
SCHEMBL2226197 1.00 CTSS (0.59) CTSSCTSLCTSBCTSKELANE
SCHEMBL2226204 1.00 CTSS (0.59) CTSSCTSLCTSBCTSKELANE
SCHEMBL27684755 0.86 CTSS (0.62) CTSSCTSLCTSBCTSKELANE
SCHEMBL17282797 0.86 CTSS (0.62) CTSSCTSLCTSBCTSKELANE
SCHEMBL12906609 0.86 ATM (0.61) CTSSCTSLCTSBCTSKELANE
SCHEMBL7201466 0.83 CTSS (0.54) CTSSCTSLCTSBCTSKELANE
SCHEMBL7201468 0.83 CTSS (0.54) CTSSCTSLCTSBCTSKELANE
SCHEMBL6320730 0.82 CTSL (0.60) CTSSCTSLCTSBCTSKELANE
SCHEMBL6311222 0.82 CTSL (0.60) CTSSCTSLCTSBCTSKELANE
SCHEMBL6311227 0.82 CTSL (0.60) CTSSCTSLCTSBCTSKELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102822192-B Pyruvamide compounds as inhibitors of dust mite group 1 peptidase allergen ST GEORGE'S HOSPITAL MEDICAL SCHOOL (GB) 2015-09-30 CN disclosed
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 CTSS 288/4885CTSL 535/4885CTSB 531/4885
US-20120322722-A1 Pyruvamide Compounds as Inhibitors of Dust Mite Group 1 Peptidase Allergen and Their Use PREP, DPEP1, PEPD CTSS 440/4885CTSL 669/4885CTSB 682/4885

“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.