SCHEMBL1078397

SCHEMBL1078397

O=C1C=CC(=O)N1C(O)(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.42
ALDH1A1 P00352 3/20 0.39
HSP90AA1 P07900 2/20 0.39
ATM Q13315 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TLR9 Q9NR96 2/20 0.39
PKM P14618 1/20 0.39
CCR6 P51684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SRC P12931 1/20 0.39
PTPN1 P18031 2/20 0.35
P2RX4 Q99571 1/20 0.35
CES2 O00748 2/20 0.34
DAO P14920 1/20 0.34
TSHR P16473 1/20 0.34
NAPRT Q6XQN6 1/20 0.34
MGLL Q99685 1/20 0.34
HTT P42858 2/20 0.34
MITF O75030 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL242506 0.69 CES1 (0.54) CES1ALDH1A1TDP1SRCCES2
SCHEMBL6368612 0.69 MGLL (0.44) ALDH1A1HSP90AA1ATMTLR9PKM
SCHEMBL252920 0.69 CES1 (0.54) CES1ALDH1A1TDP1SRCCES2
SCHEMBL1079930 0.69 CES1 (0.54) CES1ALDH1A1TDP1SRCCES2
SCHEMBL240232 0.69 MGLL (0.44) ALDH1A1HSP90AA1ATMTLR9PKM
SCHEMBL562162 0.69 CES1 (0.54) CES1ALDH1A1TDP1SRCCES2
SCHEMBL36374 0.68 CES1 (0.48) CES1ALDH1A1TDP1SRCPTPN1
SCHEMBL1667516 0.68 GRM5 (0.40) CES1ALDH1A1MGLL
SCHEMBL972914 0.67 CES1 (0.57) CES1ALDH1A1TDP1SRCPTPN1
SCHEMBL20503786 0.67 CES1 (0.52) CES1ALDH1A1TDP1SRCCES2

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110229510-A1 GLYCOPEPTIDE CONSTRUCTS AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-09-22 US claimed
EP-2315771-A2 GLYCOPEPTIDE CONSTRUCTS AND USES THEREOF Sloan Kettering Institute For Cancer Research (US) 2011-05-04 EP claimed
WO-2010006343-A2 GLYCOPEPTIDE CONSTRUCTS AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2010-01-14 WO claimed
EP-0996455-B1 ALPHA-O-LINKED GLYCOCONJUGATES WITH CLUSTERED (2,6)-ST EPITOPES, METHODS OF PREPARATION AND USES THEREOF SLOAN KETTERING INST CANCER (US) 2009-12-16 EP claimed
EP-3768780-A1 AZACYANINE DYES AND USE THEREOF ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2021-01-27 EP disclosed
WO-2019180475-A1 AZACYANINE DYES AND USE THEREOF ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2019-09-26 WO disclosed
EP-3013365-B1 RM2 ANTIGENS AND USE THEREOF ACADEMIA SINICA (TW) 2019-06-05 EP disclosed
US-10086054-B2 RM2 antigens and use thereof ACADEMIA SINICA (TW) 2018-10-02 US disclosed
US-9981030-B2 Glycan conjugates and use thereof ACADEMIA SINICA (TW) 2018-05-29 US disclosed
US-9598466-B2 Glycopeptide constructs and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2017-03-21 US disclosed
US-20160193310-A1 RM2 ANTIGENS AND USE THEREOF ACADEMIA SINICA 2016-07-07 US disclosed
EP-3013347-A1 GLYCAN CONJUGATES AND USE THEREOF Academia Sinica (TW) 2016-05-04 EP disclosed
US-20030153492-A1 Novel glycoconjugates, glycoamino acids, intermediates thereto, and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2003-08-14 US disclosed
EP-0459978-B1 CLASS I MHC MODULATION OF SURFACE RECEPTOR ACTIVITY UNIV CALIFORNIA (US) 1997-07-16 EP disclosed
EP-0459978-A4 CLASS I MHC MODULATION OF SURFACE RECEPTOR ACTIVITY 1992-10-07 EP disclosed
US-5073540-A Polypeptide sequence for regulating surface membrane receptor response, insulin, epidermal growth factor RECEPTRON (US) 1991-12-17 US disclosed
EP-0459978-A1 CLASS I MHC MODULATION OF SURFACE RECEPTOR ACTIVITY. UNIV CALIFORNIA (US) 1991-12-11 EP disclosed
WO-1990010016-A1 CLASS I MHC MODULATION OF SURFACE RECEPTOR ACTIVITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1990-09-07 WO disclosed
EP-0274824-A1 Novel lipid-protein compositions and articles and methods for their preparation Ribi, Hans O. (US) 1988-07-20 EP disclosed
US-4144131-A COUPLING, REACTION OF NUCLEOPHILIC AND ELECTROPHILIC GROUPS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1979-03-13 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 (4 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-20160193310-A1 RM2 ANTIGENS AND USE THEREOF LGALS2, MAN2B2, GALNT2 CES1 3704/4885ALDH1A1 3794/4885HSP90AA1 3446/4885
US-20030153492-A1 Novel glycoconjugates, glycoamino acids, intermediates thereto, and uses thereof B3GAT3, SIGLEC7, STT3A CES1 836/4885ALDH1A1 1798/4885HSP90AA1 1399/4885
US-20110229510-A1 GLYCOPEPTIDE CONSTRUCTS AND USES THEREOF B3GAT3, MICA, SIGLEC7 CES1 1672/4885ALDH1A1 3709/4885HSP90AA1 1142/4885
US-10086054-B2 RM2 antigens and use thereof MAN2B2, LGALS2, GALNT2 CES1 3646/4885ALDH1A1 4089/4885HSP90AA1 2947/4885

“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.