SCHEMBL4348222

SCHEMBL4348222

CN(C)C(CCSSc1ccccn1)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.39
HDAC2 Q92769 13/20 0.39
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
EHMT2 Q96KQ7 1/20 0.32
EHMT1 Q9H9B1 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32

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
SCHEMBL31005440 1.00 HDAC1 (0.39) HDAC1HDAC2LMNAALDH1A1SMN1; SMN2
SCHEMBL9926762 0.84 HDAC1 (0.39) HDAC1HDAC2LMNAALDH1A1SMN1; SMN2
SCHEMBL574827 0.82 HDAC1 (0.37) HDAC1HDAC2LMNAALDH1A1SMN1; SMN2
SCHEMBL29353376 0.82 HDAC1 (0.37) HDAC1HDAC2LMNAALDH1A1SMN1; SMN2
SCHEMBL18726574 0.82 HDAC1 (0.37) HDAC1HDAC2LMNAALDH1A1SMN1; SMN2
SCHEMBL13632151 0.82 HDAC1 (0.43) HDAC1HDAC2LMNAALDH1A1SMN1; SMN2
SCHEMBL9904994 0.80 HDAC1 (0.36) HDAC1HDAC2LMNAALDH1A1SMN1; SMN2
SCHEMBL1120030 0.79 ALDH1A1 (0.43) HDAC1HDAC2LMNAALDH1A1SMN1; SMN2
SCHEMBL31005446 0.79 ALDH1A1 (0.43) HDAC1HDAC2LMNAALDH1A1SMN1; SMN2
SCHEMBL27076397 0.78 HDAC1 (0.37) HDAC1HDAC2LMNAALDH1A1SMN1; SMN2

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
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
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-20170157264-A1 CROSS-LINKERS AND THEIR USES IMMUNOGEN, INC. 2017-06-08 US 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
US-20120282282-A1 Methods for Decreasing Ocular Toxicity of Antibody Drug Conjugates IMMUNOGEN, INC. (US) 2012-11-08 US disclosed
US-20120282282-A1 Methods for Decreasing Ocular Toxicity of Antibody Drug Conjugates IMMUNOGEN, INC. (US) 2012-11-08 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
US-8236319-B2 Cross-linkers and their uses IMMUNOGEN, INC. (US) 2012-08-07 US 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 HDAC1 228/4885HDAC2 387/4885LMNA 394/4885
US-20180291100-A1 CROSS-LINKERS AND THEIR USES MTCL3, DCLRE1A, PCNA HDAC1 228/4885HDAC2 387/4885LMNA 394/4885
US-20120282282-A1 Methods for Decreasing Ocular Toxicity of Antibody Drug Conjugates UACA, CYTH3, FCGR2A HDAC1 857/4885HDAC2 667/4885LMNA 614/4885
US-20200148764-A1 CROSS-LINKERS AND THEIR USES MTCL3, DCLRE1A, PCNA HDAC1 228/4885HDAC2 387/4885LMNA 394/4885
US-20170157264-A1 CROSS-LINKERS AND THEIR USES MTCL3, DCLRE1A, PCNA HDAC1 228/4885HDAC2 387/4885LMNA 394/4885
US-11046762-B2 Cross-linkers and their uses MTCL3, DCLRE1A, PCNA HDAC1 228/4885HDAC2 387/4885LMNA 394/4885

“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.