SCHEMBL2842957

SCHEMBL2842957

Nc1ncccc1C(=O)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.55
CAPN1 P07384 11/20 0.54
CTSS P25774 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
GPR132 Q9UNW8 2/20 0.51
ITGB1 P05556 1/20 0.51
ITGA4 P13612 1/20 0.51
CA2 P00918 2/20 0.50
CA1 P00915 1/20 0.50
ITGB2 P05107 1/20 0.49
ICAM1 P05362 1/20 0.49
ITGAL P20701 1/20 0.49
FTO Q9C0B1 1/20 0.49

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
SCHEMBL14305627 1.00 PRKCI (0.55) PRKCICAPN1CTSSL3MBTL1GPR132
SCHEMBL13320482 0.86 KLKB1 (0.52) PRKCICAPN1CTSS
SCHEMBL13352182 0.86 KLKB1 (0.52) PRKCICAPN1CTSS
SCHEMBL9489744 0.82 L3MBTL1 (0.57) L3MBTL1CA2CA1
SCHEMBL4001531 0.82 L3MBTL1 (0.57) L3MBTL1CA2CA1
SCHEMBL4001530 0.82 L3MBTL1 (0.57) L3MBTL1CA2CA1
SCHEMBL7609992 0.80 ITGB1 (0.73) ITGB1ITGA4
SCHEMBL23864379 0.79 L3MBTL1 (0.60) L3MBTL1CA2CA1
SCHEMBL16088662 0.79 L3MBTL1 (0.60) L3MBTL1CA2CA1
SCHEMBL8337801 0.79 L3MBTL1 (0.60) L3MBTL1ITGB1ITGA4CA2CA1

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 9 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-8895545-B2 Acrylamide derivatives as Fab I inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2014-11-25 US disclosed
EP-2687533-A2 Acrylamide derivatives as FAB I inhibitors Affinium Pharmaceuticals, Inc. (CA) 2014-01-22 EP disclosed
US-20130237523-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2013-09-12 US 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
EP-2054422-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS Affinium Pharmaceuticals, Inc. (CA) 2009-05-06 EP disclosed
WO-2008009122-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2008-01-24 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-20130237523-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS ACR, DBI, AADAC PRKCI 1125/4885CAPN1 422/4885CTSS 1709/4885
US-20100130470-A1 ACRYLAMIDE DERIVATIVES AS FAB I INHIBITORS ACR, DBI, AADAC PRKCI 1125/4885CAPN1 422/4885CTSS 1709/4885

“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.