SCHEMBL21134739

SCHEMBL21134739

CSCC(C(=O)O)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.38
AAK1 Q2M2I8 2/20 0.35
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC6 Q9UBN7 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31

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
SCHEMBL21153269 1.00 MMP13 (0.38) MMP13AAK1MEN1GAAKMT2A
SCHEMBL13707766 1.00 MMP13 (0.38) MMP13AAK1MEN1GAAKMT2A
SCHEMBL15845208 0.90 MMP13 (0.38) MMP13AAK1MEN1GAAKMT2A
SCHEMBL15845207 0.90 MMP13 (0.38) MMP13AAK1MEN1GAAKMT2A
SCHEMBL23845804 0.85 MMP13 (0.36) MMP13AAK1MEN1GAAKMT2A
SCHEMBL27915723 0.85 CTSS (0.40) MMP13AAK1MEN1GAAKMT2A
SCHEMBL11100837 0.85 CTSS (0.40) MMP13AAK1MEN1GAAKMT2A
SCHEMBL8371917 0.85 CTSS (0.40) MMP13AAK1MEN1GAAKMT2A
SCHEMBL16289346 0.84 MMP13 (0.35) MMP13AAK1HDAC6HDAC1HDAC2
SCHEMBL15083200 0.84 MMP13 (0.35) MMP13AAK1HDAC6HDAC1HDAC2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008286-B2 Amino mercaptan compound and preparation method therefor and use thereof in protection against radiation SHANGHAI KECHOW PHARMA, INC (CN) 2021-05-18 US disclosed
US-20190202779-A1 AMINO MERCAPTAN COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF IN PROTECTION AGAINST RADIATION SHANGHAI KECHOW PHARMA, INC. (CN) 2019-07-04 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 (2 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-20190202779-A1 AMINO MERCAPTAN COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF IN PROTECTION AGAINST RADIATION MGMT, PRMT8, SULT1A1 MMP13 4681/4885AAK1 4149/4885MEN1 330/4885
US-11008286-B2 Amino mercaptan compound and preparation method therefor and use thereof in protection against radiation MGMT, GSTA1, PRMT1 MMP13 4276/4885AAK1 2409/4885MEN1 200/4885

“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.