SCHEMBL10118947

SCHEMBL10118947

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

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.52
ADAM17 P78536 1/20 0.49
CA1 P00915 1/20 0.49
CCR1 P32246 1/20 0.47
CTSB P07858 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
MME P08473 3/20 0.43
LTA4H P09960 2/20 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
SCHEMBL14315995 0.90 CA2 (0.46) CA2ADAM17CA1CTSBSMN1; SMN2
SCHEMBL10118924 0.87 CA2 (0.49) CA2CA1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL7897280 0.84 CA2 (0.65) CA2ADAM17CA1CCR1SMN1; SMN2
SCHEMBL4680240 0.84 CA2 (0.65) CA2ADAM17CA1CCR1SMN1; SMN2
SCHEMBL10119268 0.83 CTSB (0.46) CA2ADAM17CCR1CTSBSMN1; SMN2
SCHEMBL11431508 0.82 SMN1; SMN2 (0.57) CA2CA1SMN1; SMN2MMELTA4H
SCHEMBL2796740 0.82 CA1 (0.62) CA2CA1SMN1; SMN2ALDH1A1LTA4H
SCHEMBL698879 0.82 CA1 (0.62) CA2CA1SMN1; SMN2ALDH1A1LTA4H
SCHEMBL698880 0.82 CA1 (0.62) CA2CA1SMN1; SMN2ALDH1A1LTA4H
SCHEMBL9829100 0.81 KMT2A (0.61) CA2CA1SMN1; SMN2ALDH1A1KMT2A

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 507/4885ADAM17 707/4885CA1 897/4885
US-20120322722-A1 Pyruvamide Compounds as Inhibitors of Dust Mite Group 1 Peptidase Allergen and Their Use PREP, DPEP1, PEPD CA2 564/4885ADAM17 730/4885CA1 901/4885

“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.