SCHEMBL10118946

SCHEMBL10118946

C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.67
CTSK P43235 5/20 0.67
CTSB P07858 5/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
CTSL P07711 5/20 0.59
PSMB5 P28074 2/20 0.58
MME P08473 3/20 0.56
PTPN1 P18031 1/20 0.55
HPGDS O60760 1/20 0.55
ANPEP P15144 1/20 0.55

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
SCHEMBL14297648 0.95 CTSS (0.60) CTSSCTSKCTSBL3MBTL1CTSL
SCHEMBL10119263 0.95 CTSS (0.60) CTSSCTSKCTSBL3MBTL1CTSL
SCHEMBL7318555 0.93 PSMB5 (0.65) CTSSCTSKCTSBL3MBTL1CTSL
SCHEMBL10119250 0.93 PSMB5 (0.65) CTSSCTSKCTSBL3MBTL1CTSL
SCHEMBL16063728 0.91 CTSS (0.57) CTSSCTSKCTSBL3MBTL1CTSL
SCHEMBL24510640 0.89 L3MBTL1 (0.57) CTSSCTSKCTSBL3MBTL1CTSL
SCHEMBL7315389 0.88 PSMB5 (0.60) CTSSCTSKCTSBL3MBTL1CTSL
SCHEMBL14297659 0.87 PSMB5 (0.56) CTSSCTSKCTSBL3MBTL1CTSL
SCHEMBL10118950 0.87 PSMB5 (0.56) CTSSCTSKCTSBL3MBTL1CTSL
SCHEMBL7315385 0.86 PSMB5 (0.58) CTSSCTSKCTSBL3MBTL1CTSL

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
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-2012004554-A1 ALDEHYDE COMPOUNDS AS INHIBITORS OF DUST MITE GROUP 1 PEPTIDASE ALLERGEN AND THEIR USE ST GEORGE'S HOSPITAL MEDICAL SCHOOL (GB) 2012-01-12 WO 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 288/4885CTSK 357/4885CTSB 531/4885
US-20120322722-A1 Pyruvamide Compounds as Inhibitors of Dust Mite Group 1 Peptidase Allergen and Their Use PREP, DPEP1, PEPD CTSS 440/4885CTSK 436/4885CTSB 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.