SCHEMBL3490799

SCHEMBL3490799

O=C(O)C(CCCSSc1ccccn1)N1C(=O)CCC1=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
PKM P14618 1/20 0.46
HDAC1 Q13547 14/20 0.43
HDAC2 Q92769 13/20 0.43
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
EHMT2 Q96KQ7 1/20 0.36
EHMT1 Q9H9B1 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL10340280 0.97 HDAC1 (0.47) ALDH1A1PKMHDAC1HDAC2MAPT
SCHEMBL1752117 0.93 ALDH1A1 (0.48) ALDH1A1PKMHDAC1HDAC2MAPT
Hydrogen Sulfide SCHEMBL20305480 0.92 ALDH1A1 (0.47) ALDH1A1PKMHDAC1HDAC2MAPT
SCHEMBL2002797 0.88 ALDH1A1 (0.49) ALDH1A1PKMMAPTKMT2A
SCHEMBL327593 0.86 HPGD (0.44) ALDH1A1PKMHDAC1HDAC2HDAC4
SCHEMBL44725 0.86 ALDH1A1 (0.50) ALDH1A1PKMHDAC1HDAC2MAPT
SCHEMBL10340551 0.84 ALDH1A1 (0.43) ALDH1A1PKMHDAC1HDAC2MAPT
SCHEMBL21768790 0.83 ALDH1A1 (0.51) ALDH1A1PKMMAPTKMT2A
SCHEMBL28630260 0.81 HDAC1 (0.41) ALDH1A1PKMHDAC1HDAC2
SCHEMBL616908 0.79 ALDH1A1 (0.54) ALDH1A1PKMMAPTKMT2A

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
WO-2020033851-A1 COMPOSITIONS COMPRISING PRIMING AGENTS AND THEIR USE IN THE TREATMENT OF CANCER Notable Labs, Inc. (US) 2020-02-13 WO disclosed
US-20200046737-A1 METHODS FOR TREATING CANCER, AND COMPOSITIONS THEREFOR NOTABLE LABS INC (US) 2020-02-13 US disclosed
EP-1819359-B1 ANTI-INTEGRIN IMMUNOCONJUGATES, METHODS OF THEIR PRODUCTION AND THEIR USE JANSSEN BIOTECH INC (US) 2015-03-18 EP disclosed
US-8834920-B2 Liposome composition for targeting egfr receptor ALZA CORPORATION (US) 2014-09-16 US disclosed
US-8603483-B2 Anti-integrin immunoconjugates, methods and uses JANSSEN BIOTECH, INC. (US) 2013-12-10 US disclosed
US-8536113-B2 EGFR binding peptides and uses thereof JANSSEN BIOTECH, INC. (US) 2013-09-17 US disclosed
US-8278415-B2 Dimeric high affinity EGFR constructs and uses thereof CENTOCOR, INC. (US) 2012-10-02 US disclosed
US-20120213844-A1 LIPOSOME COMPOSITION FOR TARGETING EGFR RECEPTOR HUANG KEN SHI KUN (US) 2012-08-23 US disclosed
US-20100151003-A1 EGFR BINDING PEPTIDES AND USES THEREOF JANSSEN BIOTECH, INC. 2010-06-17 US disclosed
US-20100098681-A1 DIMERIC HIGH AFFINITY EGFR CONSTRUCTS AND USES THEREOF WANG BRYAN 2010-04-22 US disclosed
WO-2004018000-A2 COMPOSITIONS AND METHODS FOR TREATING CANCER USING MAYTANSINOID CD44 ANTIBODY IMMONOCONJUGATES AND CHEMOTHERAPEUTIC AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-03-04 WO disclosed
EP-1391213-A1 Compositions and methods for treating cancer using maytansinoid CD44 antibody immunoconjugates and chemotherapeutic agents Boehringer Ingelheim International GmbH (DE) 2004-02-25 EP disclosed
US-20030103985-A1 Cytotoxic CD44 antibody immunoconjugates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2003-06-05 US disclosed
WO-2002094325-A2 CYTOTOXIC CD44 ANTIBODY IMMUNOCONJUGATES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2002-11-28 WO disclosed
US-5395924-A Oligosaccharide or glycopeptide bound to lectin and conjugated with cell binding agent, improved targeting of cells for cytolysis DANA-FARBER CANCER INSTITUTE, INC. (US) 1995-03-07 US disclosed
US-5239062-A Blocked lectins, methods and affinity support for making same using affinity ligands, and method of killing selected cell populations having reduced nonselective cytotoxicity DANA-FARBER CANCER INSTITUTE, INC. (US) 1993-08-24 US disclosed
EP-0196007-B1 DESMOSINE DERIVATIVES AND REAGENT FOR PREPARING ARTIFICIAL ANTIGENS JAPAN TOBACCO INC. (JP) 1990-01-10 EP disclosed
US-4841055-A Desmosine derivatives and reagent for preparing artificial antigens JAPAN TOBACCO INC. (JP) 1989-06-20 US disclosed
US-4723012-A Desmosine derivatives having a disulfide bond and preparation of artificial antigen using the same JAPAN TOBACCO INC. (JP) 1988-02-02 US disclosed
EP-0196007-A2 Desmosine derivatives and reagent for preparing artificial antigens JAPAN TOBACCO INC. (JP) 1986-10-01 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 (1 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-20030103985-A1 Cytotoxic CD44 antibody immunoconjugates CD44, CD47, EPCAM ALDH1A1 178/4885PKM 4656/4885HDAC1 1612/4885

“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.