SCHEMBL1120030

SCHEMBL1120030

CN(C)C(CCSSc1ccccn1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
HDAC1 Q13547 12/20 0.41
HDAC2 Q92769 12/20 0.41
EHMT2 Q96KQ7 1/20 0.41
EHMT1 Q9H9B1 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL31005446 1.00 ALDH1A1 (0.43) ALDH1A1HDAC1HDAC2EHMT2EHMT1
SCHEMBL13632151 0.85 HDAC1 (0.43) ALDH1A1HDAC1HDAC2EHMT2EHMT1
SCHEMBL10086909 0.82 ALDH1A1 (0.47) ALDH1A1HDAC1HDAC2EHMT2EHMT1
SCHEMBL19188184 0.80 HDAC1 (0.47) ALDH1A1HDAC1HDAC2EHMT2EHMT1
SCHEMBL25413645 0.80 ALDH1A1 (0.47) ALDH1A1HDAC1HDAC2EHMT2EHMT1
SCHEMBL25413647 0.80 ALDH1A1 (0.47) ALDH1A1HDAC1HDAC2EHMT2EHMT1
SCHEMBL4349165 0.79 ALDH1A1 (0.43) ALDH1A1HDAC1HDAC2EHMT2EHMT1
SCHEMBL4348222 0.79 HDAC1 (0.39) ALDH1A1HDAC1HDAC2EHMT2EHMT1
SCHEMBL31005440 0.79 HDAC1 (0.39) ALDH1A1HDAC1HDAC2EHMT2EHMT1
SCHEMBL24378432 0.78 HDAC1 (0.48) ALDH1A1HDAC1HDAC2EHMT2EHMT1

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 40 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-11046762-B2 Cross-linkers and their uses IMMUNOGEN, INC. (US) 2021-06-29 US disclosed
US-11046762-B2 Cross-linkers and their uses IMMUNOGEN, INC. (US) 2021-06-29 US disclosed
CN-113039191-A Nucleotide analogs 奇异基因组学系统公司 2021-06-25 CN disclosed
US-20200148764-A1 CROSS-LINKERS AND THEIR USES IMMUNOGEN, INC. 2020-05-14 US disclosed
US-20200148764-A1 CROSS-LINKERS AND THEIR USES IMMUNOGEN, INC. 2020-05-14 US disclosed
US-20180291100-A1 CROSS-LINKERS AND THEIR USES IMMUNOGEN SWITZERLAND GMBH (CH) 2018-10-11 US disclosed
EP-3266469-A2 CROSS-LINKERS AND THEIR USES ImmunoGen, Inc. (US) 2018-01-10 EP disclosed
EP-2281006-B1 CROSS-LINKERS AND THEIR USES IMMUNOGEN INC (US) 2017-08-02 EP disclosed
US-20170157264-A1 CROSS-LINKERS AND THEIR USES IMMUNOGEN, INC. 2017-06-08 US disclosed
US-20120282282-A1 Methods for Decreasing Ocular Toxicity of Antibody Drug Conjugates IMMUNOGEN, INC. (US) 2012-11-08 US disclosed
WO-2012138749-A1 METHODS FOR DECREASING OCULAR TOXICITY OF ANTIBODY DRUG CONJUGATES IMMUNOGEN, INC. (US) 2012-10-11 WO disclosed
US-8236319-B2 Cross-linkers and their uses IMMUNOGEN, INC. (US) 2012-08-07 US disclosed
US-8236319-B2 Cross-linkers and their uses IMMUNOGEN, INC. (US) 2012-08-07 US disclosed
US-8236319-B2 Cross-linkers and their uses IMMUNOGEN, INC. (US) 2012-08-07 US disclosed
EP-2281006-A1 CROSS-LINKERS AND THEIR USES Immunogen, Inc. (US) 2011-02-09 EP disclosed
WO-2009134977-A1 CROSS-LINKERS AND THEIR USES IMMUNOGEN, INC. (US) 2009-11-05 WO disclosed
US-20090274713-A1 CROSS-LINKERS AND THEIR USES IMMUNOGEN INC. (US) 2009-11-05 US disclosed
US-20090274713-A1 CROSS-LINKERS AND THEIR USES IMMUNOGEN INC. (US) 2009-11-05 US disclosed
US-20090274713-A1 CROSS-LINKERS AND THEIR USES IMMUNOGEN INC. (US) 2009-11-05 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-20090274713-A1 CROSS-LINKERS AND THEIR USES MTCL3, DCLRE1A, PCNA ALDH1A1 3130/4885HDAC1 228/4885HDAC2 387/4885
US-20180291100-A1 CROSS-LINKERS AND THEIR USES MTCL3, DCLRE1A, PCNA ALDH1A1 3130/4885HDAC1 228/4885HDAC2 387/4885
US-20120282282-A1 Methods for Decreasing Ocular Toxicity of Antibody Drug Conjugates UACA, CYTH3, FCGR2A ALDH1A1 904/4885HDAC1 857/4885HDAC2 667/4885
US-20200148764-A1 CROSS-LINKERS AND THEIR USES MTCL3, DCLRE1A, PCNA ALDH1A1 3130/4885HDAC1 228/4885HDAC2 387/4885
US-20170157264-A1 CROSS-LINKERS AND THEIR USES MTCL3, DCLRE1A, PCNA ALDH1A1 3130/4885HDAC1 228/4885HDAC2 387/4885
US-11046762-B2 Cross-linkers and their uses MTCL3, DCLRE1A, PCNA ALDH1A1 3130/4885HDAC1 228/4885HDAC2 387/4885

“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.