SCHEMBL12516677

SCHEMBL12516677

CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GNPAT O15228 1/20 0.55
▸ PSMB5 P28074 2/20 0.54
▸ CTSL P07711 3/20 0.53
▸ CTSS P25774 1/20 0.53
▸ CTSK P43235 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ ACE P12821 4/20 0.52
▸ MME P08473 3/20 0.52
▸ CPA1 P15085 2/20 0.52
▸ ACE2 Q9BYF1 2/20 0.52
▸ CA2 P00918 1/20 0.51
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ FOLH1 Q04609 2/20 0.51
▸ CBX4 O00257 1/20 0.50
▸ CBX7 O95931 1/20 0.50
▸ CDYL2 Q8N8U2 1/20 0.50
▸ CBX8 Q9HC52 1/20 0.50
▸ CTSB P07858 1/20 0.49

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
SCHEMBL30799863 0.88 GNPAT (0.58) GNPATACEMMECPA1ACE2
SCHEMBL10119206 0.87 CTSL (0.61) GNPATPSMB5CTSLCTSSCTSK
SCHEMBL12518333 0.87 CDYL2 (0.49) PSMB5CTSLCTSSCTSKL3MBTL1
SCHEMBL10118861 0.86 CTSK (0.57) PSMB5CTSLCTSSCTSKL3MBTL1
SCHEMBL10118860 0.86 CTSK (0.57) PSMB5CTSLCTSSCTSKL3MBTL1
SCHEMBL10118863 0.86 CTSK (0.57) PSMB5CTSLCTSSCTSKL3MBTL1
SCHEMBL14297678 0.85 CTSB (0.60) PSMB5CTSLCTSSCTSKL3MBTL1
SCHEMBL3504191 0.85 NPY4R (0.53) GNPATPSMB5CTSLCTSSCTSK
SCHEMBL6674259 0.84 MME (0.51) ACEMMECPA1ACE2CA2
SCHEMBL12518309 0.84 CTSB (0.62) PSMB5CTSLCTSSL3MBTL1CTSB

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 GNPAT 1672/4885PSMB5 484/4885CTSL 535/4885
US-20120322722-A1 Pyruvamide Compounds as Inhibitors of Dust Mite Group 1 Peptidase Allergen and Their Use PREP, DPEP1, PEPD GNPAT 2095/4885PSMB5 408/4885CTSL 669/4885

“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.

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