SCHEMBL932574

SCHEMBL932574

CSSC(C)(C)CCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 1/20 0.41
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
THRB P10828 1/20 0.38
ESR1 P03372 1/20 0.37
CYP3A4 P08684 1/20 0.37
ESR2 Q92731 1/20 0.37
EGLN1 Q9GZT9 2/20 0.35
KDM6B O15054 1/20 0.35
KDM5C P41229 1/20 0.35
PHF8 Q9UPP1 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
CHEK1 O14757 1/20 0.35
FYN P06241 1/20 0.35
PDGFRB P09619 1/20 0.35
PIM1 P11309 1/20 0.35
FGFR1 P11362 1/20 0.35
FLT1 P17948 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
SCHEMBL11565232 0.88 NAALAD2 (0.45) NAALAD2ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL16472473 0.82 ALDH1A1 (0.39) ALDH1A1LMNASLC15A2
SCHEMBL13955086 0.82 NAALAD2 (0.33) NAALAD2ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL21012621 0.78 TSHR (0.48) ALDH1A1KMT2AMEN1LMNATSHR
SCHEMBL19456828 0.78 TDP1 (0.36) ALDH1A1TDP1
SCHEMBL23894022 0.77
SCHEMBL20425149 0.76 HMGCR (0.46) ALDH1A1TSHRFFAR3HIF1ATDP1
SCHEMBL23777424 0.75 TSHR (0.39) NAALAD2ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL26744419 0.74 NAALAD2 (0.42) NAALAD2ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL22987344 0.74 FAAH (0.41) ALDH1A1KMT2ALMNATSHR

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 254 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
CN-101186613-B Cytotoxic agents comprising new maytansinoids IMMUNOGEN INC 2014-09-17 CN 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-121021353-A Purification method of 4-methyl-4- (methyldisulfanyl) pentanoic acid 哈尔滨珍宝制药有限公司 2025-11-28 CN disclosed
CN-121021353-A Purification method of 4-methyl-4- (methyldisulfanyl) pentanoic acid 哈尔滨珍宝制药有限公司 2025-11-28 CN disclosed
US-20250114441-A1 POLYMERIC VACCINE FOR OPIOID ADDICTION THE JOHNS HOPKINS UNVERSITY 2025-04-10 US disclosed
EP-4335851-A2 PHARMACEUTICAL FORMULATIONS AND METHODS OF USE THEREOF ImmunoGen, Inc. (US) 2024-03-13 EP disclosed
US-11897961-B2 Anti-CD123 antibodies and conjugates and derivatives thereof IMMUNOGEN, INC. (US) 2024-02-13 US disclosed
EP-4286387-A2 METHODS OF PREPARING CYTOTOXIC BENZODIAZEPINE DERIVATIVES ImmunoGen, Inc. (US) 2023-12-06 EP disclosed
US-11834406-B2 Conjugates of cell binding molecules with cytotoxic agents HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-12-05 US disclosed
EP-3380525-B1 PHARMACEUTICAL FORMULATIONS AND METHODS OF USE THEREOF IMMUNOGEN INC (US) 2023-11-08 EP disclosed
CN-1956722-A Improved cytotoxic agents containing novel maytansinoids IMMUNOGEN INC (US) 2007-05-02 CN disclosed
US-20070037972-A1 For making maytansinoids with chiral amino acid side chains; maytansinoids may be conjugated to cell-binding agents such as antibodies and are useful therapeutics, especially for treatment of cancer; high yielding methods that avoid or reduce epimerization in coupling of side chain linker MILLENNIUM PHARMACEUTICALS, INC. 2007-02-15 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
WO-2006061259-A2 CYTOTOXIC AGENTS COMPRISING NEW C-2 MODIFIED TAXANES AVENTIS PHARMA S.A. (FR) 2006-06-15 WO 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-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 617/4885ALDH1A1 492/4885KMT2A 3969/4885
US-20060167245-A1 Method for the preparation of maytansinoid esters PTMS, CYP4A11, CYP11B1 NAALAD2 1081/4885ALDH1A1 638/4885KMT2A 4564/4885
US-11897961-B2 Anti-CD123 antibodies and conjugates and derivatives thereof IL23R, CD22, IL2RA NAALAD2 729/4885ALDH1A1 1167/4885KMT2A 3968/4885
US-20040235840-A1 For therapy of tumors HCCS, SPR, PAICS NAALAD2 1996/4885ALDH1A1 1022/4885KMT2A 3924/4885
US-20070037972-A1 For making maytansinoids with chiral amino acid side chains; maytansinoids may be conjugated to cell-binding agents such as antibodies and are useful therapeutics, especially for treatment of cancer; high yielding methods that avoid or reduce epimerization in coupling of side chain linker MRTO4, SLC43A1, SLC7A1 NAALAD2 1499/4885ALDH1A1 2721/4885KMT2A 1344/4885
US-20250114441-A1 POLYMERIC VACCINE FOR OPIOID ADDICTION OPRM1, OPRK1, OPRL1 NAALAD2 3733/4885ALDH1A1 2483/4885KMT2A 2167/4885
US-11834406-B2 Conjugates of cell binding molecules with cytotoxic agents CD4, CD2, CD47 NAALAD2 1457/4885ALDH1A1 3232/4885KMT2A 2878/4885

“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.