SCHEMBL3490800

SCHEMBL3490800

O=C(CCCCSSc1ccccn1)ON1C(=O)CCC1=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.40
HDAC2 Q92769 13/20 0.40
ALDH1A1 P00352 2/20 0.39
HDAC4 P56524 2/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
LMNA P02545 1/20 0.36
EHMT2 Q96KQ7 1/20 0.36
EHMT1 Q9H9B1 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36

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
SCHEMBL29415489 1.00 HDAC1 (0.40) HDAC1HDAC2ALDH1A1HDAC4MAPT
SCHEMBL29379500 0.99 HDAC1 (0.41) HDAC1HDAC2ALDH1A1HDAC4MAPT
SCHEMBL10340282 0.99 HDAC1 (0.41) HDAC1HDAC2ALDH1A1HDAC4MAPT
SCHEMBL154742 0.99 HDAC1 (0.41) HDAC1HDAC2ALDH1A1HDAC4MAPT
SCHEMBL29356575 0.97 ALDH1A1 (0.39) HDAC1HDAC2ALDH1A1HDAC4MAPT
SCHEMBL107907 0.97 ALDH1A1 (0.39) HDAC1HDAC2ALDH1A1HDAC4MAPT
SCHEMBL42368 0.92 ALDH1A1 (0.44) HDAC1HDAC2ALDH1A1MAPTKMT2A
SCHEMBL29352062 0.92 ALDH1A1 (0.44) HDAC1HDAC2ALDH1A1MAPTKMT2A
SCHEMBL17072458 0.87 HDAC1 (0.35) HDAC1HDAC2ALDH1A1HDAC4MAPT
SCHEMBL10340287 0.87 HDAC1 (0.41) HDAC1HDAC2ALDH1A1HDAC4MAPT

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113039191-B Nucleotide analogues 奇异基因组学系统公司 2024-07-16 CN disclosed
US-20200046737-A1 METHODS FOR TREATING CANCER, AND COMPOSITIONS THEREFOR NOTABLE LABS INC (US) 2020-02-13 US disclosed
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-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus SEATTLE GENETICS, INC. (US) 2018-06-19 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-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2013-05-16 US disclosed
US-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2013-05-16 US 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
EP-0031999-B1 ANTITUMOR PROTEIN HYBRID AND PROCESS FOR THE PREPARATION THEREOF TEIJIN LIMITED (JP) 1984-04-18 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 (3 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-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS MMAB, PTMS, DNPEP HDAC1 2612/4885HDAC2 3313/4885ALDH1A1 3562/4885
US-20030103985-A1 Cytotoxic CD44 antibody immunoconjugates CD44, CD47, EPCAM HDAC1 1612/4885HDAC2 2526/4885ALDH1A1 178/4885
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus PTMS, MMAB, DNPEP HDAC1 2549/4885HDAC2 3254/4885ALDH1A1 3502/4885

“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.