SCHEMBL10119206

SCHEMBL10119206

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

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 4/20 0.61
▸ CTSS P25774 2/20 0.61
▸ CTSK P43235 2/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ HDAC3 O15379 2/20 0.59
▸ HDAC4 P56524 2/20 0.59
▸ HDAC1 Q13547 2/20 0.59
▸ HDAC2 Q92769 2/20 0.59
▸ HDAC8 Q9BY41 2/20 0.59
▸ PSMB5 P28074 2/20 0.58
▸ ACE P12821 2/20 0.56
▸ GNPAT O15228 1/20 0.56
▸ PTPN1 P18031 1/20 0.55
▸ CA1 P00915 2/20 0.55
▸ CA12 O43570 1/20 0.55
▸ CA9 Q16790 1/20 0.55
▸ HPGD P15428 1/20 0.54
▸ CTSB P07858 1/20 0.54
▸ CA2 P00918 2/20 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
SCHEMBL4356229 0.89 ACE (0.68) CTSLCTSSCTSKL3MBTL1PSMB5
SCHEMBL4357736 0.89 ACE (0.68) CTSLCTSSCTSKL3MBTL1PSMB5
SCHEMBL9829285 0.87 RAB9A (0.60) ACECA1CA12CA9HPGD
SCHEMBL3948327 0.87 RAB9A (0.60) ACECA1CA12CA9HPGD
SCHEMBL12516677 0.87 GNPAT (0.55) CTSLCTSSCTSKL3MBTL1PSMB5
SCHEMBL24785995 0.87 L3MBTL1 (0.53) CTSLCTSSCTSKL3MBTL1HDAC3
SCHEMBL14479056 0.85 CTSL (0.56) CTSLCTSSCTSKL3MBTL1PSMB5
SCHEMBL9830474 0.84 PSMB5 (0.72) CTSLCTSSCTSKPSMB5CTSB
SCHEMBL9830466 0.84 PSMB5 (0.72) CTSLCTSSCTSKPSMB5CTSB
SCHEMBL10119266 0.84 PSMB5 (0.53) CTSLCTSSCTSKL3MBTL1HDAC3

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-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

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 CTSL 535/4885CTSS 288/4885CTSK 357/4885
US-20120322722-A1 Pyruvamide Compounds as Inhibitors of Dust Mite Group 1 Peptidase Allergen and Their Use PREP, DPEP1, PEPD CTSL 669/4885CTSS 440/4885CTSK 436/4885

“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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