SCHEMBL10118949

SCHEMBL10118949

C[C@H](NC(=O)[C@H](NC(=O)c1ccccc1)C1Cc2ccccc2C1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SDCBP O00560 1/20 0.42
SDC2 P34741 1/20 0.42
CA2 P00918 2/20 0.41
GRM7 Q14831 2/20 0.41
CA1 P00915 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
TAOK1 Q7L7X3 3/20 0.41
TAOK3 Q9H2K8 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
MME P08473 3/20 0.39
LTA4H P09960 2/20 0.39
DGAT1 O75907 1/20 0.39

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
SCHEMBL12516657 0.89 GAA (0.42) GRM7MEN1LMNAKMT2ATAOK1
SCHEMBL10118848 0.84 SMN1; SMN2 (0.40) GRM7MEN1LMNAKMT2ATAOK1
SCHEMBL23201197 0.81 AAK1 (0.43) SDCBPSDC2KMT2A
SCHEMBL30882362 0.81 AAK1 (0.43) SDCBPSDC2KMT2A
SCHEMBL23201199 0.81 AAK1 (0.43) SDCBPSDC2KMT2A
SCHEMBL11431508 0.77 SMN1; SMN2 (0.57) CA2CA1LMNASMN1; SMN2MME
SCHEMBL12516879 0.77 CTSB (0.51) MEN1LMNAKMT2ATAOK1TAOK3
SCHEMBL2796740 0.76 CA1 (0.62) CA2CA1SMN1; SMN2ALDH1A1LTA4H
SCHEMBL698880 0.76 CA1 (0.62) CA2CA1SMN1; SMN2ALDH1A1LTA4H
SCHEMBL698879 0.76 CA1 (0.62) CA2CA1SMN1; SMN2ALDH1A1LTA4H

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
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

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 SDCBP 1614/4885SDC2 2137/4885CA2 507/4885
US-20120322722-A1 Pyruvamide Compounds as Inhibitors of Dust Mite Group 1 Peptidase Allergen and Their Use PREP, DPEP1, PEPD SDCBP 1539/4885SDC2 2028/4885CA2 564/4885

“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.