SCHEMBL1752264

SCHEMBL1752264

Cc1ccc(S(=O)(=O)CC[C@@H](C)S(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
LMNA P02545 3/20 0.48
RXFP1 Q9HBX9 1/20 0.48
KMT2A Q03164 7/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.46
PAX8 Q06710 2/20 0.45
MMP1 P03956 1/20 0.45
MMP13 P45452 1/20 0.45
GBA1 P04062 1/20 0.44
MAPT P10636 1/20 0.43
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
TP53 P04637 1/20 0.42
P4HB P07237 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL5463088 0.90 ALDH1A1 (0.65) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL6825821 0.83 ALDH1A1 (0.64) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL23106681 0.81 CA2 (0.57) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL15948905 0.81 CA2 (0.57) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL27487582 0.81 ALDH1A1 (0.62) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL7584620 0.81 ALDH1A1 (0.62) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL8474920 0.80 ALDH1A1 (0.60) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL4325357 0.79 ALDH1A1 (0.55) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL19661520 0.79 CA12 (0.50) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL11763255 0.79 G6PD (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A

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 19 patents. 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
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
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-8435528-B2 Cytotoxic agents comprising new maytansinoids IMMUNOGEN, INC. (US) 2013-05-07 US disclosed
US-20110158991-A1 CYTOTOXIC AGENTS COMPRISING NEW MAYTANSINOIDS IMMUNOGEN INC. (US) 2011-06-30 US disclosed
US-7851432-B2 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) 2010-12-14 US disclosed
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 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-20070269447-A1 CYTOTOXIC AGENTS COMPRISING NEW MAYTANSINOIDS 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 ALDH1A1 506/4885CYP3A4 2049/4885CYP2C9 1565/4885
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 ALDH1A1 492/4885CYP3A4 951/4885CYP2C9 1419/4885
US-20040235840-A1 For therapy of tumors HCCS, SPR, PAICS ALDH1A1 1022/4885CYP3A4 3718/4885CYP2C9 3960/4885
US-20070269447-A1 CYTOTOXIC AGENTS COMPRISING NEW MAYTANSINOIDS SPR, HCCS, TXNRD1 ALDH1A1 707/4885CYP3A4 1983/4885CYP2C9 2201/4885
US-20180043013-A1 CYTOTOXIC AGENTS COMPRISING NEW MAYTANSINOIDS (DM4) PDIA4, TPD52L2, ANXA4 ALDH1A1 1496/4885CYP3A4 301/4885CYP2C9 1816/4885
US-20110158991-A1 CYTOTOXIC AGENTS COMPRISING NEW MAYTANSINOIDS SPR, HCCS, TXNRD1 ALDH1A1 707/4885CYP3A4 1983/4885CYP2C9 2201/4885
US-20150071949-A1 CYTOTOXIC AGENTS COMPRISING NEW MAYTANSINOIDS (DM4) PDIA4, TPD52L2, ANXA4 ALDH1A1 1496/4885CYP3A4 301/4885CYP2C9 1816/4885

“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.