SCHEMBL1751918

SCHEMBL1751918

CC(S)(S)CCCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
SLC22A6 Q4U2R8 2/20 0.48
TSHR P16473 5/20 0.46
NFKB1 P19838 1/20 0.46
PMP22 Q01453 1/20 0.46
AKR1B1 P15121 1/20 0.44
FOLH1 Q04609 1/20 0.44
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
GPR84 Q9NQS5 7/20 0.42
PPARG P37231 6/20 0.42
PPARD Q03181 6/20 0.42
PPARA Q07869 6/20 0.42
HDAC11 Q96DB2 5/20 0.42
ALDH1A1 P00352 2/20 0.42
TLR2 O60603 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
FABP4 P15090 2/20 0.42
PTPN1 P18031 2/20 0.42
SLC22A8 Q8TCC7 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
SCHEMBL3361168 0.85 LMNA (0.48) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL3545824 0.84
SCHEMBL6355102 0.79 FOLH1 (0.44) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL14359877 0.79 TDP1 (0.54) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL1572851 0.79 LMNA (0.53) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL27567558 0.78 TSHR (0.43) LMNASLC22A6TSHRNFKB1PMP22
Hydrochloric Acid SCHEMBL5670619 0.77 LMNA (0.50) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL381203 0.77 LMNA (0.50) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL11662691 0.77 LMNA (0.50) LMNASLC22A6TSHRNFKB1PMP22
SCHEMBL6554853 0.77 LMNA (0.50) LMNASLC22A6TSHRNFKB1PMP22

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 29 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
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
EP-1313738-A4 PROCESS FOR THE PREPARATION AND PURIFICATION OF THIOL-CONTAINING MAYTANSINOIDS IMMUNOGEN INC (US) 2005-01-19 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-1313738-A1 PROCESS FOR THE PREPARATION AND PURIFICATION OF THIOL-CONTAINING MAYTANSINOIDS Immunogen, Inc. (US) 2003-05-28 EP disclosed
WO-2002016368-A1 PROCESS FOR THE PREPARATION AND PURIFICATION OF THIOL-CONTAINING MAYTANSINOIDS IMMUNOGEN, INC. (US) 2002-02-28 WO disclosed
US-6333410-B1 REDUCTIVE HYDROLYSIS OF C3 ESTER WITH LITHIUM TRIMETHOXYALUMINUM HYDRIDE TO YIELD THE MANTANSINOL; ESTERIFYING THE A DISULFIDE-CONTAINING CARBOXYLIC ACID; REDUCING TO YIELD A THIOL-CONTAINING MAYTANSINOID IMMUNOGEN, INC. 2001-12-25 US disclosed
EP-0425235-B1 Cytotoxic agents comprising maytansinoids and their therapeutic use IMMUNOGEN INC (US) 1996-09-25 EP disclosed
US-5416064-A Antitumor agents IMMUNOGEN, INC. (US) 1995-05-16 US disclosed
US-5208020-A Cytotoxic agents comprising maytansinoids and their therapeutic use IMMUNOGEN INC. (US) 1993-05-04 US disclosed
EP-0425235-A2 Cytotoxic agents comprising maytansinoids and their therapeutic use IMMUNOGEN INC (US) 1991-05-02 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 (4 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-20040235840-A1 For therapy of tumors HCCS, SPR, PAICS LMNA 4857/4885SLC22A6 140/4885TSHR 2061/4885
US-20180043013-A1 CYTOTOXIC AGENTS COMPRISING NEW MAYTANSINOIDS (DM4) PDIA4, TPD52L2, ANXA4 LMNA 4671/4885SLC22A6 107/4885TSHR 1967/4885
US-20110158991-A1 CYTOTOXIC AGENTS COMPRISING NEW MAYTANSINOIDS SPR, HCCS, TXNRD1 LMNA 4677/4885SLC22A6 105/4885TSHR 2549/4885
US-20150071949-A1 CYTOTOXIC AGENTS COMPRISING NEW MAYTANSINOIDS (DM4) PDIA4, TPD52L2, ANXA4 LMNA 4671/4885SLC22A6 107/4885TSHR 1967/4885

“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.