SCHEMBL844408

SCHEMBL844408

O=C(Cl)OCCSSc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 1/20 0.47
EHMT1 Q9H9B1 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.44
HDAC1 Q13547 9/20 0.43
HDAC2 Q92769 9/20 0.43
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL3093190 0.91 HDAC1 (0.46) EHMT2EHMT1APOBEC3GALDH1A1LMNA
SCHEMBL3099655 0.90 HDAC1 (0.47) EHMT2EHMT1APOBEC3GALDH1A1LMNA
SCHEMBL15777571 0.89 EHMT2 (0.48) EHMT2EHMT1APOBEC3GALDH1A1LMNA
SCHEMBL31040490 0.88 ALDH1A1 (0.49) EHMT2EHMT1APOBEC3GALDH1A1LMNA
SCHEMBL903346 0.88 ALDH1A1 (0.49) EHMT2EHMT1APOBEC3GALDH1A1LMNA
SCHEMBL31040491 0.88 ALDH1A1 (0.49) EHMT2EHMT1APOBEC3GALDH1A1LMNA
SCHEMBL15669431 0.87 EHMT2 (0.46) EHMT2EHMT1APOBEC3GALDH1A1LMNA
SCHEMBL17253259 0.87 LMNA (0.47) EHMT2EHMT1APOBEC3GALDH1A1LMNA
SCHEMBL2738375 0.84 LMNA (0.51) EHMT2EHMT1APOBEC3GALDH1A1LMNA
SCHEMBL20095020 0.84 LMNA (0.45) EHMT2EHMT1APOBEC3GALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023056427-A1 COMPOSITIONS AND METHODS FOR METAL CONTAINING FORMULATIONS CAPABLE OF MODULATING IMMUNE RESPONSE THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2023-04-06 WO disclosed
US-20220072023-A1 COMPOSITIONS AND METHODS FOR METAL CONTAINING FORMULATIONS CAPABLE OF MODULATING IMMUNE RESPONSE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-03-10 US disclosed
WO-2017172930-A1 PBD CONJUGATES FOR TREATING DISEASES ENDOCYTE, INC. (US) 2017-10-05 WO disclosed
US-20170073452-A1 POLYGLYOXYLATES, MANUFACTURE AND USE THEREOF THE UNIVERSITY OF WESTERN ONTARIO (CA) 2017-03-16 US disclosed
US-20170073452-A1 POLYGLYOXYLATES, MANUFACTURE AND USE THEREOF THE UNIVERSITY OF WESTERN ONTARIO (CA) 2017-03-16 US disclosed
WO-2015168809-A1 POLYGLYOXYLATES, MANUFACTURE AND USE THEREOF THE UNIVERSITY OF WESTERN ONTARIO (CA) 2015-11-12 WO disclosed
WO-2015106599-A1 CONJUGATES AND COMPOSITIONS FOR DRUG DELIVERY BRIGHTGENE BIO-MEDICAL TECHNOLOGY CO., LTD. (CN) 2015-07-23 WO disclosed
US-8816122-B2 Prostratin analogs, bryostatin analogs, prodrugs, synthetic methods, and methods of use THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-08-26 US disclosed
US-8653238-B2 Compositions and methods for transport of molecules with enhanced release properties across biological barriers THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-02-18 US disclosed
US-8653238-B2 Compositions and methods for transport of molecules with enhanced release properties across biological barriers THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-02-18 US disclosed
US-7678894-B2 Nucleotide analogs HELICOS BIOSCIENCES CORPORATION (US) 2010-03-16 US disclosed
WO-2008144544-A1 NUCLEOTIDE ANALOGS HELICOS BIOSCIENCES CORPORATION (US) 2008-11-27 WO disclosed
US-20080286837-A1 Nucleotide analogs HELICOS BIOSCIENCES CORPORATION (US) 2008-11-20 US disclosed
US-20080286837-A1 Nucleotide analogs HELICOS BIOSCIENCES CORPORATION (US) 2008-11-20 US disclosed
EP-1988911-A2 COMPOSITIONS AND METHODS FOR TRANSPORT OF MOLECULES WITH ENHANCED RELEASE PROPERTIES ACROSS BIOLOGICAL BARRIERS The Board Of Trustees Of The University Of the Leland Stanford Junior University (US) 2008-11-12 EP disclosed
WO-2008069824-A2 COMPOSITIONS AND METHODS FOR TRANSPORT OF MOLECULES WITH ENHANCED RELEASE PROPERTIES ACROSS BIOLOGICAL BARRIERS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2008-06-12 WO disclosed
US-20070276018-A1 AZIRIDINYL-EPOTHILONE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-29 US disclosed
US-20070276018-A1 AZIRIDINYL-EPOTHILONE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-29 US disclosed
US-20070275904-A1 CONJUGATES OF AZIRIDINYL-EPOTHILONE ANALOGS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-29 US disclosed
US-20070275904-A1 CONJUGATES OF AZIRIDINYL-EPOTHILONE ANALOGS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-29 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 (5 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-20220072023-A1 COMPOSITIONS AND METHODS FOR METAL CONTAINING FORMULATIONS CAPABLE OF MODULATING IMMUNE RESPONSE MYD88, STING1, TLR3 EHMT2 3336/4885EHMT1 3170/4885APOBEC3G 449/4885
US-20070276018-A1 AZIRIDINYL-EPOTHILONE COMPOUNDS CBR3, CBR1, NR0B1 EHMT2 1489/4885EHMT1 1011/4885APOBEC3G 4793/4885
US-20070275904-A1 CONJUGATES OF AZIRIDINYL-EPOTHILONE ANALOGS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME FOLR1, FOLR2, DHFR EHMT2 2594/4885EHMT1 2252/4885APOBEC3G 4112/4885
US-20080286837-A1 Nucleotide analogs NT5C2, NT5E, NUDT1 EHMT2 1233/4885EHMT1 1283/4885APOBEC3G 196/4885
US-20170073452-A1 POLYGLYOXYLATES, MANUFACTURE AND USE THEREOF IDUA, IDE, PUF60 EHMT2 3695/4885EHMT1 3560/4885APOBEC3G 1911/4885

“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.