SCHEMBL1696336

SCHEMBL1696336

COC(=O)c1sccc1NC(C(=O)O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.58
ALDH1A1 P00352 2/20 0.58
LMNA P02545 2/20 0.53
MAPK8 P45983 1/20 0.53
MAPK9 P45984 1/20 0.53
MAPK10 P53779 1/20 0.53
KMT2A Q03164 3/20 0.50
HPGD P15428 2/20 0.50
MEN1 O00255 2/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
RAB9A P51151 1/20 0.49
KDM4E B2RXH2 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
POLB P06746 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
SCHEMBL1696067 0.86 MAPK8 (0.51) L3MBTL1ALDH1A1LMNAMAPK8MAPK9
SCHEMBL1696327 0.84 MAPK8 (0.52) L3MBTL1ALDH1A1MAPK8MAPK10NPSR1
SCHEMBL1696056 0.80 L3MBTL1 (0.45) L3MBTL1ALDH1A1LMNAMAPK8MAPK9
SCHEMBL12073631 0.80 L3MBTL1 (0.45) L3MBTL1ALDH1A1LMNAMAPK8MAPK9
SCHEMBL1638858 0.78 HPGD (0.44) L3MBTL1ALDH1A1LMNAMAPK8MAPK9
SCHEMBL12074292 0.77 L3MBTL1 (0.65) L3MBTL1ALDH1A1LMNAMAPK8MAPK9
SCHEMBL2430838 0.77 NPC1 (0.59) L3MBTL1ALDH1A1LMNAMAPK10KMT2A
SCHEMBL13240792 0.77 KDM4E (0.56) L3MBTL1ALDH1A1LMNAMAPK10KMT2A
SCHEMBL4788237 0.76 L3MBTL1 (0.70) L3MBTL1ALDH1A1LMNAMAPK8MAPK9
SCHEMBL5804880 0.75 LMNA (0.68) L3MBTL1ALDH1A1LMNAMAPK8MAPK9

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 L3MBTL1 4025/4885ALDH1A1 1852/4885LMNA 2876/4885

“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.