SCHEMBL2229345

SCHEMBL2229345

CCOC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.60
MMP8 P22894 1/20 0.55
CTSC P53634 2/20 0.53
OPRD1 P41143 7/20 0.51
OPRM1 P35372 4/20 0.51
OPRK1 P41145 2/20 0.51
ALPI P09923 1/20 0.49
PKM P14618 1/20 0.49
PTGS1 P23219 1/20 0.49
XIAP P98170 1/20 0.49
SLC7A5 Q01650 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
SCHEMBL5497789 1.00 METAP2 (0.60) METAP2MMP8CTSCOPRD1OPRM1
Trifluoroacetic Acid SCHEMBL15258901 0.94 METAP2 (0.55) METAP2MMP8CTSCOPRD1OPRM1
SCHEMBL10645951 0.89 OPRD1 (0.54) CTSCOPRD1OPRM1OPRK1
SCHEMBL13135022 0.89 MAPT (0.57) CTSCOPRD1OPRM1OPRK1ALPI
Hydrochloric Acid SCHEMBL7326138 0.88 OPRD1 (0.53) CTSCOPRD1OPRM1OPRK1
SCHEMBL21952759 0.88 CTSC (0.52) METAP2CTSCOPRD1OPRM1OPRK1
SCHEMBL5967176 0.88 CTSC (0.52) METAP2CTSCOPRD1OPRM1OPRK1
Hydrochloric Acid SCHEMBL5967173 0.86 CTSC (0.51) METAP2CTSCOPRD1OPRM1OPRK1
SCHEMBL29480449 0.86 OPRK1 (0.57) MMP8CTSCOPRK1
SCHEMBL27546531 0.85 METAP2 (0.73) METAP2MMP8

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 9 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-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
US-7189708-B2 Topical composition for skin KAO CORPORATION (JP) 2007-03-13 US disclosed
EP-1090625-B1 Topical composition for the skin and use thereof KAO CORP (JP) 2004-12-22 EP disclosed
US-20030087833-A1 Topical composition for skin KAO CORPORATION (JP) 2003-05-08 US disclosed
US-6489291-B1 Topical composition for skin KAO CORPORATION (JP) 2002-12-03 US disclosed
EP-1090625-A2 Topical composition for the skin and use thereof Kao Corporation (JP) 2001-04-11 EP 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 (3 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 METAP2 95/4885MMP8 303/4885CTSC 9/4885
US-20030087833-A1 Topical composition for skin CUTA, SLC38A7, CCR8 METAP2 1157/4885MMP8 39/4885CTSC 719/4885
US-20120322722-A1 Pyruvamide Compounds as Inhibitors of Dust Mite Group 1 Peptidase Allergen and Their Use PREP, DPEP1, PEPD METAP2 121/4885MMP8 302/4885CTSC 13/4885

“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.