SCHEMBL1752128

SCHEMBL1752128

CC(C)(CCC(=O)O)C(S)S

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 1/20 0.42
FOLH1 Q04609 2/20 0.39
CYP1A2 P05177 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 1/20 0.39
ESR1 P03372 1/20 0.38
CYP3A4 P08684 1/20 0.38
ESR2 Q92731 1/20 0.38
LMNA P02545 3/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
SUCNR1 Q9BXA5 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
FFAR3 O14843 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
CYP2C9 P11712 1/20 0.35

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
SCHEMBL5513728 0.78 NAALAD2 (0.43) NAALAD2CYP1A2ALDH1A1MEN1THRB
SCHEMBL7914664 0.76 NAALAD2 (0.42) NAALAD2CYP1A2ALDH1A1MEN1THRB
SCHEMBL10577535 0.76 NAALAD2 (0.42) NAALAD2FOLH1CYP1A2ALDH1A1MEN1
SCHEMBL19805240 0.74 GABRP (0.48) NAALAD2CYP1A2ALDH1A1MEN1THRB
SCHEMBL21052347 0.74 CYP1A2 (0.48) NAALAD2FOLH1CYP1A2ALDH1A1MEN1
SCHEMBL12655754 0.73 ALDH1A1 (0.46) NAALAD2CYP1A2ALDH1A1MEN1THRB
SCHEMBL10941022 0.73 TSHR (0.41) NAALAD2CYP1A2ALDH1A1MEN1THRB
SCHEMBL7918002 0.73 TSHR (0.42) NAALAD2CYP1A2ALDH1A1MEN1THRB
SCHEMBL27715972 0.73 NAALAD2 (0.39) NAALAD2FOLH1CYP1A2ALDH1A1MEN1
SCHEMBL10577675 0.72 NAALAD2 (0.46) NAALAD2FOLH1CYP1A2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651162-B1 IMPROVED CYTOTOXIC AGENTS COMPRISING NEW MAYTANSINOIDS IMMUNOGEN INC (US) 2015-10-21 EP claimed
US-7473796-B2 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) 2009-01-06 US claimed
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 claimed
CN-116514903-A Cytotoxic benzodiazepine derivatives 伊缪诺金公司 2023-08-01 CN disclosed
CN-106604927-B Cytotoxic benzodiazepine derivatives 伊缪诺金公司 2022-08-09 CN disclosed
CN-107074879-B Novel cytotoxic molecules for use in cell binding molecule-drug conjugates 杭州多禧生物科技有限公司 2022-04-15 CN disclosed
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
US-20180043013-A1 CYTOTOXIC AGENTS COMPRISING NEW MAYTANSINOIDS (DM4) IMMUNOGEN, INC. 2018-02-15 US disclosed
EP-3031810-A1 IMPROVED CYTOTOXIC AGENTS COMPRISING NEW MAYTANSINOIDS ImmunoGen, Inc. (US) 2016-06-15 EP 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
EP-1838715-A2 METHOD FOR THE PREPARATION OF MAYTANSINOID ESTERS Immunogen, Inc. (US) 2007-10-03 EP disclosed
US-7276497-B2 For therapy of tumors IMMUNOGEN INC. 2007-10-02 US disclosed
WO-2006078809-A2 METHOD FOR THE PREPARATION OF MAYTANSINOID ESTERS IMMUNOGEN, INC. (US) 2006-07-27 WO disclosed
US-20060167245-A1 Method for the preparation of maytansinoid esters IMMUNOGEN, INC. 2006-07-27 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

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 NAALAD2 1893/4885FOLH1 147/4885CYP1A2 3053/4885
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 NAALAD2 617/4885FOLH1 523/4885CYP1A2 3419/4885
US-20060167245-A1 Method for the preparation of maytansinoid esters PTMS, CYP4A11, CYP11B1 NAALAD2 1081/4885FOLH1 648/4885CYP1A2 280/4885
US-20040235840-A1 For therapy of tumors HCCS, SPR, PAICS NAALAD2 1996/4885FOLH1 43/4885CYP1A2 4418/4885
US-20180043013-A1 CYTOTOXIC AGENTS COMPRISING NEW MAYTANSINOIDS (DM4) PDIA4, TPD52L2, ANXA4 NAALAD2 2657/4885FOLH1 475/4885CYP1A2 3253/4885

“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.