SCHEMBL1701667

SCHEMBL1701667

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
CYP3A4 P08684 1/20 0.43
MAPT P10636 5/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 5/20 0.42
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 3/20 0.42
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
CASR P41180 1/20 0.41
FFAR1 O14842 1/20 0.41
PKM P14618 1/20 0.40
THRB P10828 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40

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
SCHEMBL15127375 1.00 POLB (0.44) POLBCYP3A4MAPTKMT2AMEN1
SCHEMBL13240836 0.84 MAPT (0.55) POLBMAPTKMT2AMEN1TDP1
SCHEMBL2486459 0.84 MAPT (0.55) POLBMAPTKMT2AMEN1TDP1
Hydrochloric Acid SCHEMBL2486456 0.83 MAPT (0.54) POLBMAPTKMT2AMEN1TDP1
SCHEMBL15117446 0.80 CHRM3 (0.54) KMT2AMEN1TSHR
SCHEMBL12071825 0.80 CHRM3 (0.54) KMT2AMEN1TSHR
SCHEMBL7610698 0.79 ALDH1A1 (0.41) CYP3A4MAPTKMT2AMEN1ALDH1A1
Benzene SCHEMBL29140663 0.77 CYP3A4 (0.59) CYP3A4MAPTKMT2AMEN1TDP1
SCHEMBL5098387 0.77 CYP3A4 (0.49) POLBCYP3A4MAPTKMT2ARAB9A
SCHEMBL16372021 0.76 CYP3A4 (0.61) CYP3A4KMT2AMEN1TDP1RAB9A

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-2585459-B1 Alkaloid aminoester derivatives and medicinal compositions thereof CHIESI FARMA SPA (IT) 2015-01-07 EP disclosed
US-8492548-B2 Alkaloid aminoester derivatives and medicinal compositions thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-07-23 US disclosed
US-8492548-B2 Alkaloid aminoester derivatives and medicinal compositions thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-07-23 US disclosed
EP-2585459-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF Chiesi Farmaceutici S.p.A. (IT) 2013-05-01 EP disclosed
WO-2011161018-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-29 WO disclosed
WO-2011161018-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-29 WO disclosed
US-20110311458-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-22 US disclosed
US-20110311458-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITIONS 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-20110311458-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHRM3, CHRM5, CHRM2 POLB 4016/4885CYP3A4 199/4885MAPT 1159/4885

“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.