SCHEMBL1696332

SCHEMBL1696332

COc1cccc(NC(C(=O)O)c2csc3ccccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
CASP3 P42574 1/20 0.46
NPC1 O15118 5/20 0.44
RAB9A P51151 4/20 0.44
NLRP3 Q96P20 1/20 0.44
TSHR P16473 1/20 0.44
EDNRA P25101 1/20 0.43
EPAS1 Q99814 1/20 0.43
IDO1 P14902 1/20 0.42
USP2 O75604 1/20 0.42
CYP1A2 P05177 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
MTNR1B P49286 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
GRM4 Q14833 1/20 0.41

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
SCHEMBL12073587 1.00 POLB (0.47) POLBCASP3NPC1RAB9ANLRP3
SCHEMBL1696048 0.84 MAPT (0.49) POLBNPC1RAB9ASMN1; SMN2CMA1
SCHEMBL12074605 0.84 MAPT (0.49) POLBNPC1RAB9ASMN1; SMN2CMA1
SCHEMBL16476721 0.83 KMT2A (0.46) POLBNPC1RAB9ACYP1A2SMN1; SMN2
SCHEMBL16476709 0.82 CASP3 (0.43) CASP3NPC1RAB9AIDO1CSNK2A2
SCHEMBL1696189 0.82 CASP3 (0.43) CASP3NPC1RAB9AIDO1CSNK2A2
SCHEMBL14832234 0.81 POLB (0.53) POLBCASP3NPC1RAB9ANLRP3
SCHEMBL1696296 0.80 ALDH1A1 (0.43) CASP3
SCHEMBL1696297 0.80 ALDH1A1 (0.43) CASP3
SCHEMBL12073586 0.80 ALDH1A1 (0.43) CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102947298-B Alkaloid aminoester derivatives and pharmaceutical compositions thereof CHIESI FARMACEUTICI S.P.A. (IT) 2016-03-02 CN disclosed
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
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
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 POLB 3670/4885CASP3 2763/4885NPC1 3313/4885

“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.