SCHEMBL10118924

SCHEMBL10118924

C[C@H](NC(=O)[C@@H](NC(=O)c1ccncc1)C(C)(C)C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.49
CA1 P00915 2/20 0.46
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
PTGS2 P35354 1/20 0.44
ROCK2 O75116 1/20 0.43
RPS6KA5 O75582 1/20 0.43
MAP4K4 O95819 1/20 0.43
CDK1 P06493 1/20 0.43
CSF1R P07333 1/20 0.43
PRKACA P17612 1/20 0.43
FLT1 P17948 1/20 0.43
RPS6KB1 P23443 1/20 0.43
CDK2 P24941 1/20 0.43
MAPK1 P28482 1/20 0.43
AKT1 P31749 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
FLT3 P36888 1/20 0.43
GSK3A P49840 1/20 0.43

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
SCHEMBL10118947 0.87 CA2 (0.52) CA2CA1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5131090 0.83 CA2 (0.57) CA2CA1MAOAMAOBPTGS2
SCHEMBL2917519 0.83 CA2 (0.57) CA2CA1MAOAMAOBPTGS2
SCHEMBL2917517 0.83 CA2 (0.57) CA2CA1MAOAMAOBPTGS2
SCHEMBL10118858 0.82 MAOA (0.39) CA2MAOAMAOBPTGS2ROCK2
SCHEMBL10118992 0.82 KDM4C (0.46) CA2HPGDALDH1A1GAALONP1
SCHEMBL10119267 0.80 FDPS (0.42) CA2CA1MAPK1GSK3BLMNA
SCHEMBL14315995 0.78 CA2 (0.46) CA2CA1SMN1; SMN2
SCHEMBL14325308 0.77 LONP1 (0.65) CA2CA1LMNALONP1SMN1; SMN2
SCHEMBL10398924 0.77 CA2 (0.47) CA2MAOAMAOBPTGS2ROCK2

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 CA2 507/4885CA1 897/4885MAOA 950/4885
US-20120322722-A1 Pyruvamide Compounds as Inhibitors of Dust Mite Group 1 Peptidase Allergen and Their Use PREP, DPEP1, PEPD CA2 564/4885CA1 901/4885MAOA 789/4885

“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.