SCHEMBL2486459

SCHEMBL2486459

CCOC(=O)c1cccc(NC(C(=O)O)c2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
RAB9A P51151 5/20 0.54
POLB P06746 3/20 0.54
PKM P14618 1/20 0.54
KMT2A Q03164 5/20 0.53
ALDH1A1 P00352 3/20 0.53
TSHR P16473 1/20 0.53
CDC25B P30305 3/20 0.53
MEN1 O00255 3/20 0.53
NPC1 O15118 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
KDM4E B2RXH2 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.51
TP53 P04637 3/20 0.50

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
SCHEMBL13240836 1.00 MAPT (0.55) MAPTRAB9APOLBPKMKMT2A
Hydrochloric Acid SCHEMBL2486456 0.99 MAPT (0.54) MAPTRAB9APOLBPKMKMT2A
SCHEMBL10389937 0.86 MAPT (0.56) MAPTRAB9APOLBPKMKMT2A
SCHEMBL19922649 0.86 MAPT (0.56) MAPTRAB9APOLBPKMKMT2A
SCHEMBL15127375 0.84 POLB (0.44) MAPTRAB9APOLBPKMKMT2A
SCHEMBL1701667 0.84 POLB (0.44) MAPTRAB9APOLBPKMKMT2A
SCHEMBL1696185 0.82 RAB9A (0.46) MAPTRAB9APOLBPKMKMT2A
SCHEMBL12073589 0.82 RAB9A (0.46) MAPTRAB9APOLBPKMKMT2A
SCHEMBL7107744 0.82 CDC25B (0.69) MAPTRAB9APOLBPKMKMT2A
SCHEMBL14996443 0.81 MAPT (0.46) MAPTRAB9APOLBPKMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376489-B1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMA SPA (IT) 2015-04-22 EP disclosed
US-8835682-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2014-09-16 US disclosed
US-20130196978-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2013-08-01 US disclosed
US-8455646-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-04 US disclosed
EP-2376489-A1 Alkaloid aminoester derivatives and medicinal composition thereof Chiesi Farmaceutici S.p.A. (IT) 2011-10-19 EP disclosed
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-08 US disclosed
WO-2010072338-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-01 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-20130196978-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM1, CHRNG MAPT 1455/4885RAB9A 1349/4885POLB 2249/4885
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM1, CHRNG MAPT 1455/4885RAB9A 1349/4885POLB 2249/4885

“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.