SCHEMBL10118971

SCHEMBL10118971

C[C@H](NC(=O)[C@@H](NC(=O)c1ccnc(N2CCOCC2)c1)C(C)(C)C)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.54
BRAF P15056 12/20 0.47
RAF1 P04049 11/20 0.47
MAPK13 O15264 1/20 0.46
MAPK14 Q16539 3/20 0.45
PRMT5 O14744 1/20 0.44
DYRK1A Q13627 1/20 0.42

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
SCHEMBL10118868 0.87 PIK3CA (0.46) PIK3CABRAFRAF1MAPK13MAPK14
SCHEMBL10118974 0.85 ALDH1A1 (0.48) BRAFPRMT5
SCHEMBL12516627 0.81 CTSB (0.61) PRMT5
SCHEMBL12518285 0.81 PIK3CA (0.50) PIK3CABRAFRAF1MAPK13MAPK14
SCHEMBL13702161 0.81 PIK3CA (0.65) PIK3CABRAFRAF1MAPK13MAPK14
SCHEMBL13701811 0.76 PIK3CA (0.65) PIK3CABRAFRAF1MAPK13MAPK14
SCHEMBL10119267 0.75 FDPS (0.42) PIK3CABRAF
SCHEMBL10118924 0.75 CA2 (0.49)
SCHEMBL13702422 0.75 PIK3CA (0.70) PIK3CABRAFRAF1MAPK13MAPK14
SCHEMBL10118871 0.73 ALDH1A1 (0.43) BRAFPRMT5

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 PIK3CA 571/4885BRAF 3376/4885RAF1 2136/4885
US-20120322722-A1 Pyruvamide Compounds as Inhibitors of Dust Mite Group 1 Peptidase Allergen and Their Use PREP, DPEP1, PEPD PIK3CA 651/4885BRAF 3378/4885RAF1 2112/4885

“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.