SCHEMBL2993388

SCHEMBL2993388

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

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.65
ALDH1A1 P00352 7/20 0.62
MAPT P10636 5/20 0.62
KDM4E B2RXH2 2/20 0.62
KMT2A Q03164 5/20 0.59
MEN1 O00255 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
THRB P10828 1/20 0.59
HTT P42858 1/20 0.59
TDP1 Q9NUW8 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CYP1A2 P05177 1/20 0.51
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.50
ALOX12 P18054 1/20 0.50
RAB9A P51151 1/20 0.50
LMNA P02545 1/20 0.50
PKM P14618 1/20 0.50
CREBBP Q92793 1/20 0.49

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
SCHEMBL15334564 0.85 POLB (0.50) POLBALDH1A1MAPTKDM4EKMT2A
SCHEMBL2485489 0.85 POLB (0.50) POLBALDH1A1MAPTKDM4EKMT2A
SCHEMBL2482992 0.85 HSD17B10 (0.53) POLBALDH1A1MAPTKDM4EKMT2A
SCHEMBL16664412 0.85 HSD17B10 (0.53) POLBALDH1A1MAPTKDM4EKMT2A
SCHEMBL13240806 0.85 HSD17B10 (0.53) POLBALDH1A1MAPTKDM4EKMT2A
Hydrochloric Acid SCHEMBL1695922 0.84 POLB (0.49) POLBALDH1A1MAPTKDM4EKMT2A
Hydrochloric Acid SCHEMBL2483476 0.84 HSD17B10 (0.51) POLBALDH1A1MAPTKDM4EKMT2A
SCHEMBL19915075 0.83 KMT2A (0.59) POLBALDH1A1MAPTKDM4EKMT2A
SCHEMBL7574752 0.81 NPSR1 (0.53) POLBALDH1A1MAPTKMT2AMEN1
SCHEMBL2486459 0.81 MAPT (0.55) POLBALDH1A1MAPTKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102264734-B Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMA SPA 2015-06-17 CN claimed
EP-2376489-B1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMA SPA (IT) 2015-04-22 EP claimed
US-8455646-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-04 US claimed
CN-102264734-A Alkaloid aminoester derivatives and medicinal composition thereof 2011-11-30 CN claimed
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-08 US claimed
WO-2010072338-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-01 WO claimed
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
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-08 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 (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 POLB 2249/4885ALDH1A1 2693/4885MAPT 1455/4885
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM1, CHRNG POLB 2249/4885ALDH1A1 2693/4885MAPT 1455/4885

“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.