SCHEMBL2488552

SCHEMBL2488552

CCOC(=O)C(Nc1cccc(SC)c1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 4/20 0.50
POLB P06746 3/20 0.50
TP53 P04637 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 4/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
PKM P14618 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
GAA P10253 1/20 0.46
ALPG P10696 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL13240814 1.00 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL2482459 0.84 MEN1 (0.57) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL13240820 0.84 MEN1 (0.57) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL3937562 0.84 SMN1; SMN2 (0.58) SMN1; SMN2MEN1KMT2AMAPTNPC1
Hydrochloric Acid SCHEMBL2484358 0.83 MEN1 (0.56) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL15147376 0.81 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL13240808 0.81 MAPT (0.52) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL2484912 0.81 MAPT (0.52) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL1695734 0.79 MAPT (0.50) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL12073927 0.79 MAPT (0.50) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT

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 ALDH1A1 2693/4885SMN1; SMN2 3930/4885MEN1 4121/4885
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM1, CHRNG ALDH1A1 2693/4885SMN1; SMN2 3930/4885MEN1 4121/4885

“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.