SCHEMBL1696327

SCHEMBL1696327

NC(=O)c1sccc1NC(C(=O)O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.52
MAPK10 P53779 2/20 0.52
BCAT2 O15382 1/20 0.47
RPS6KB1 P23443 2/20 0.42
AURKA O14965 1/20 0.42
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PRNP P04156 1/20 0.37
PPARG P37231 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NCOR2 Q9Y618 1/20 0.37

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
SCHEMBL1696067 0.87 MAPK8 (0.51) MAPK8MAPK10BCAT2L3MBTL1ALDH1A1
SCHEMBL1696336 0.84 L3MBTL1 (0.58) MAPK8MAPK10L3MBTL1ALDH1A1NPSR1
SCHEMBL1638858 0.73 HPGD (0.44) MAPK8MAPK10L3MBTL1ALDH1A1PRNP
SCHEMBL2593851 0.73 MAPK8 (0.64) MAPK8MAPK10BCAT2PKML3MBTL1
Benzamide SCHEMBL28276089 0.72 NPC1 (0.51) RPS6KB1AURKAALDH1A1
SCHEMBL9069534 0.72 L3MBTL1 (0.68) MAPK8MAPK10BCAT2L3MBTL1ALDH1A1
SCHEMBL15387053 0.71 MAPK8 (0.53) MAPK8MAPK10BCAT2PKML3MBTL1
SCHEMBL23997391 0.71 MAPK8 (0.65) MAPK8MAPK10BCAT2RPS6KB1AURKA
SCHEMBL7575977 0.70 GAA (0.54) RPS6KB1AURKAALDH1A1CA1CA2
SCHEMBL3657767 0.70 ACLY (0.55) MAPK8MAPK10BCAT2NPSR1IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585457-B1 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMA SPA (IT) 2015-07-22 EP disclosed
US-8629160-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2014-01-14 US disclosed
US-8629160-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2014-01-14 US disclosed
EP-2585457-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF Chiesi Farmaceutici S.p.A. (IT) 2013-05-01 EP disclosed
WO-2011160918-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-29 WO disclosed
WO-2011160918-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-29 WO disclosed
US-20110311461-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-22 US disclosed
US-20110311461-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-22 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-20110311461-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM2, CHRM5 MAPK8 2296/4885MAPK10 2168/4885BCAT2 61/4885

“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.