SCHEMBL13320482

SCHEMBL13320482

CCOC(=O)C(Cc1ccccc1)NC(=O)c1cccnc1N

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.52
CAPN1 P07384 15/20 0.51
GAA P10253 1/20 0.50
RAB9A P51151 1/20 0.50
CTSS P25774 1/20 0.49
PRKCI P41743 1/20 0.48
TP53 P04637 1/20 0.47
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47

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
SCHEMBL13352182 1.00 KLKB1 (0.52) KLKB1CAPN1GAARAB9ACTSS
SCHEMBL2842957 0.86 PRKCI (0.55) CAPN1CTSSPRKCI
SCHEMBL14305627 0.86 PRKCI (0.55) CAPN1CTSSPRKCI
SCHEMBL7956796 0.81 EGLN1 (0.57) CAPN1GAARAB9A
SCHEMBL7956801 0.81 EGLN1 (0.57) CAPN1GAARAB9A
SCHEMBL7650844 0.78 ITGB1 (0.50) KLKB1CAPN1GAARAB9ATP53
SCHEMBL5211521 0.78 GAA (0.51) CAPN1GAARAB9ATP53
SCHEMBL3927028 0.78 CTSL (0.71) GAARAB9ACTSSTP53
SCHEMBL28790851 0.78 CTSL (0.71) GAARAB9ACTSSTP53
SCHEMBL7962262 0.77 PSMB5 (0.54) GAARAB9ATP53

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2687533-B1 Acrylamide derivatives as FAB I inhibitors DEBIOPHARM INT SA (CH) 2017-07-19 EP disclosed
EP-2054422-B1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS DEBIOPHARM INT SA (CH) 2017-06-14 EP disclosed
US-8318720-B2 Acrylamide derivatives as Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2012-11-27 US disclosed
US-20100130470-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. 2010-05-27 US 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-20100130470-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS ACR, DBI, AADAC KLKB1 3538/4885CAPN1 422/4885GAA 122/4885

“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.