SCHEMBL1751916

SCHEMBL1751916

CCCC(SSC)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.46
AKR1A1 P14550 1/20 0.46
CHRM3 P20309 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
ADRA1A P35348 1/20 0.46
HRH1 P35367 1/20 0.46
DRD3 P35462 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GRIK1 P39086 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
GRIK2 Q13002 1/20 0.36
CA2 P00918 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP3A4 P08684 2/20 0.34

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
SCHEMBL15751022 0.88 CHRM1 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL15751056 0.84 CHRM1 (0.54) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2554935 0.81
SCHEMBL32679893 0.80 CHRM1 (0.44) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL10919497 0.78 CHRM1 (0.43) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL19812464 0.78 CHRM1 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28716471 0.76
SCHEMBL9068438 0.74 CA2 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL22689615 0.74 CHRM1 (0.48) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL6517896 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3851126-A1 MAYTANSINOID-CELL-BINDING AGENT CONJUGATES ImmunoGen, Inc. (US) 2021-07-21 EP disclosed
EP-3524611-B1 IMPROVED CYTOTOXIC AGENTS COMPRISING NEW MAYTANSINOIDS IMMUNOGEN INC (US) 2020-12-30 EP disclosed
EP-3524611-A1 IMPROVED CYTOTOXIC AGENTS COMPRISING NEW MAYTANSINOIDS ImmunoGen, Inc. (US) 2019-08-14 EP disclosed
EP-3380525-A1 PHARMACEUTICAL FORMULATIONS AND METHODS OF USE THEREOF Immunogen, Inc. (US) 2018-10-03 EP disclosed
US-20180043013-A1 CYTOTOXIC AGENTS COMPRISING NEW MAYTANSINOIDS (DM4) IMMUNOGEN, INC. 2018-02-15 US disclosed
WO-2017091745-A1 PHARMACEUTICAL FORMULATIONS AND METHODS OF USE THEREOF IMMUNOGEN, INC. (US) 2017-06-01 WO disclosed
EP-3031810-A1 IMPROVED CYTOTOXIC AGENTS COMPRISING NEW MAYTANSINOIDS ImmunoGen, Inc. (US) 2016-06-15 EP disclosed
EP-1651162-B1 IMPROVED CYTOTOXIC AGENTS COMPRISING NEW MAYTANSINOIDS IMMUNOGEN INC (US) 2015-10-21 EP disclosed
US-20150071949-A1 CYTOTOXIC AGENTS COMPRISING NEW MAYTANSINOIDS (DM4) IMMUNOGEN, INC. 2015-03-12 US disclosed
US-8841425-B2 Cytotoxic agents comprising new maytansinoids IMMUNOGEN, INC. (US) 2014-09-23 US disclosed
US-20070270585-A1 Maytansinoid intermediates: N-alkyl- or aryldithioalkanoylalanines and N-alkanoyl- or aroylthioalkanoylalanines, e.g., N-methyl-N-(4-methyl-4-methyldithio-1-oxopentyl)-alanine; optical isomers and racemic mixtures; preparations from isobutylene sulfide and acetonitrile, methyl methanethiosulfonate, etc. IMMUNOGEN, INC. (US) 2007-11-22 US disclosed
US-20070264266-A1 Maytansine derivatives having a sterically hindered thiol or disulfide groups, capable of conjugating to cell-binding agents, to form drugs having improved therapeutic efficacy in animal tumor models; antitumor agents IMMUNOGEN INC. (US) 2007-11-15 US disclosed
US-7276497-B2 For therapy of tumors IMMUNOGEN INC. 2007-10-02 US disclosed
EP-1651162-A2 IMPROVED CYTOTOXIC AGENTS COMPRISING NEW MAYTANSINOIDS Immunogen, Inc. (US) 2006-05-03 EP disclosed
WO-2004103272-A2 IMPROVED CYTOTOXIC AGENTS COMPRISING NEW MAYTANSINOIDS IMMUNOGEN, INC. (US) 2004-12-02 WO disclosed
US-20040235840-A1 For therapy of tumors IMMUNOGEN, INC. 2004-11-25 US disclosed
EP-0234944-B1 INSECTICIDAL N'-SUBSTITUTED-N-ACYL-N'-ALKYLCARBONYLHYDRAZINES ROHM AND HAAS COMPANY (US) 1991-04-10 EP disclosed
EP-0232075-B1 INSECTICIDAL N'-SUBSTITUTED-N-ALKYLCARBONYL-N'-ACYL HYDRAZINES ROHM AND HAAS COMPANY (US) 1991-03-13 EP disclosed
EP-0234944-A1 Insecticidal N'-substituted-N-acyl-N'-alkylcarbonylhydrazines ROHM AND HAAS COMPANY (US) 1987-09-02 EP disclosed
EP-0232075-A1 Insecticidal N'-substituted-N-alkylcarbonyl-N'-acyl hydrazines ROHM AND HAAS COMPANY (US) 1987-08-12 EP 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 (5 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-20070264266-A1 Maytansine derivatives having a sterically hindered thiol or disulfide groups, capable of conjugating to cell-binding agents, to form drugs having improved therapeutic efficacy in animal tumor models; antitumor agents SPR, SDAD1, ARRB1 CHRM1 3086/4885AKR1A1 572/4885CHRM3 3143/4885
US-20070270585-A1 Maytansinoid intermediates: N-alkyl- or aryldithioalkanoylalanines and N-alkanoyl- or aroylthioalkanoylalanines, e.g., N-methyl-N-(4-methyl-4-methyldithio-1-oxopentyl)-alanine; optical isomers and racemic mixtures; preparations from isobutylene sulfide and acetonitrile, methyl methanethiosulfonate, etc. AASDHPPT, AADAT, SLC6A15 CHRM1 816/4885AKR1A1 384/4885CHRM3 1240/4885
US-20040235840-A1 For therapy of tumors HCCS, SPR, PAICS CHRM1 4357/4885AKR1A1 1229/4885CHRM3 3816/4885
US-20180043013-A1 CYTOTOXIC AGENTS COMPRISING NEW MAYTANSINOIDS (DM4) PDIA4, TPD52L2, ANXA4 CHRM1 2429/4885AKR1A1 1056/4885CHRM3 2781/4885
US-20150071949-A1 CYTOTOXIC AGENTS COMPRISING NEW MAYTANSINOIDS (DM4) PDIA4, TPD52L2, ANXA4 CHRM1 2429/4885AKR1A1 1056/4885CHRM3 2781/4885

“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.