SCHEMBL10119261

SCHEMBL10119261

CC(=O)Nc1ccc(C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)O)C(C)(C)C)cn1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.47
HDAC1 Q13547 1/20 0.45
ABL1 P00519 2/20 0.43
BCR P11274 2/20 0.43
CA2 P00918 3/20 0.42
PTK2 Q05397 1/20 0.40
HCAR3 P49019 3/20 0.40
KIT P10721 1/20 0.39
KDR P35968 1/20 0.39
MAPK14 Q16539 1/20 0.39
CA1 P00915 1/20 0.39
KMT2A Q03164 1/20 0.38
BRAF P15056 1/20 0.38
DEGS1 O15121 1/20 0.38

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
SCHEMBL10118876 0.85 ABL1 (0.41) DGAT1HDAC1ABL1BCRCA2
SCHEMBL10119267 0.83 FDPS (0.42) CA2CA1KMT2ABRAF
SCHEMBL12518098 0.79 CTSB (0.63)
SCHEMBL12518336 0.78 DGAT1 (0.48) DGAT1
SCHEMBL10118947 0.76 CA2 (0.52) CA2CA1KMT2A
SCHEMBL10118924 0.75 CA2 (0.49) CA2KDRCA1KMT2A
SCHEMBL10118974 0.75 ALDH1A1 (0.48) KMT2ABRAF
SCHEMBL10118995 0.71 SMN1; SMN2 (0.46) CA2CA1KMT2A
SCHEMBL14314415 0.71 TAS1R3 (0.55) KMT2A
SCHEMBL14325308 0.70 LONP1 (0.65) HDAC1CA2CA1

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
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 (1 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 DGAT1 1733/4885HDAC1 169/4885ABL1 3585/4885

“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.