SCHEMBL1752252

SCHEMBL1752252

CSSC(C)CCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.48
GABRD O14764 2/20 0.48
GABRA1 P14867 2/20 0.48
GABRB1 P18505 2/20 0.48
GABRG2 P18507 2/20 0.48
GABRB3 P28472 2/20 0.48
GABRA5 P31644 2/20 0.48
GABRA3 P34903 2/20 0.48
GABRA2 P47869 2/20 0.48
GABRB2 P47870 2/20 0.48
GABRA4 P48169 2/20 0.48
GABRE P78334 2/20 0.48
GABRA6 Q16445 2/20 0.48
GABRG1 Q8N1C3 2/20 0.48
GABRG3 Q99928 2/20 0.48
GABRQ Q9UN88 2/20 0.48
CYP1A2 P05177 2/20 0.48
FOLH1 Q04609 7/20 0.41
TET2 Q6N021 3/20 0.39
KDM4A O75164 2/20 0.39

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
SCHEMBL1752703 1.00 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1751466 1.00 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9315899 0.88 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17188854 0.87 TSHR (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12798142 0.85 FFAR4 (0.44) ENPEPTSHRLMNA
SCHEMBL19456824 0.82 ALDH1A1 (0.39) LMNA
SCHEMBL19456825 0.82 ALDH1A1 (0.39) LMNA
SCHEMBL10961589 0.81
SCHEMBL18900406 0.80 ALOX15 (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19456827 0.78 TDP1 (0.36)

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 37 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
CN-101186613-A Cytotoxic agents comprising new maytansinoids IMMUNOGEN INC (US) 2008-05-28 CN 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-1956722-A Improved cytotoxic agents containing novel maytansinoids IMMUNOGEN INC (US) 2007-05-02 CN claimed
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
US-10654873-B2 Cytotoxic agents and conjugates thereof POLYTHERICS LIMITED (GB) 2020-05-19 US disclosed
EP-3524611-A1 IMPROVED CYTOTOXIC AGENTS COMPRISING NEW MAYTANSINOIDS ImmunoGen, Inc. (US) 2019-08-14 EP disclosed
US-20190202839-A1 Novel Cytotoxic Agents And Conjugates Thereof ABZENA (CAMBRIDGE) LIMITED (GB) 2019-07-04 US 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-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-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
CN-1956722-A Improved cytotoxic agents containing novel maytansinoids IMMUNOGEN INC (US) 2007-05-02 CN 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 (6 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 GABRP 607/4885GABRD 722/4885GABRA1 1198/4885
US-10654873-B2 Cytotoxic agents and conjugates thereof CD2BP2, DDB1, DCLRE1A GABRP 2636/4885GABRD 3329/4885GABRA1 3779/4885
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 GABRP 576/4885GABRD 526/4885GABRA1 655/4885
US-20040235840-A1 For therapy of tumors HCCS, SPR, PAICS GABRP 1057/4885GABRD 957/4885GABRA1 2465/4885
US-20180043013-A1 CYTOTOXIC AGENTS COMPRISING NEW MAYTANSINOIDS (DM4) PDIA4, TPD52L2, ANXA4 GABRP 2632/4885GABRD 2648/4885GABRA1 3561/4885
US-20190202839-A1 Novel Cytotoxic Agents And Conjugates Thereof CD2BP2, DDB1, DCLRE1A GABRP 2608/4885GABRD 3454/4885GABRA1 3955/4885

“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.