SCHEMBL21135104

SCHEMBL21135104

NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCS

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.39
GSTK1 Q9Y2Q3 1/20 0.39
ACE P12821 1/20 0.36
DPP4 P27487 3/20 0.35
DPP8 Q6V1X1 3/20 0.35
DPP9 Q86TI2 3/20 0.35
NOD1 Q9Y239 1/20 0.33
SLC7A11 Q9UPY5 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
ANPEP P15144 1/20 0.32
ENPEP Q07075 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
NFKB1 P19838 1/20 0.32
PTGS2 P35354 1/20 0.32
THPO P40225 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 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
SCHEMBL21134791 0.88 PTGS1 (0.35) PTGS1GSTK1ACENOD1SLC7A11
SCHEMBL21134855 0.88 PTGS1 (0.38) PTGS1GSTK1ACENOD1SLC7A11
SCHEMBL21084939 0.87 PTGS1 (0.40) PTGS1GSTK1ACENOD1SLC7A11
SCHEMBL19934713 0.87 PTGS1 (0.40) PTGS1GSTK1ACENOD1SLC7A11
SCHEMBL21084936 0.87 PTGS1 (0.40) PTGS1GSTK1ACENOD1SLC7A11
SCHEMBL19934723 0.87 PTGS1 (0.40) PTGS1GSTK1ACENOD1SLC7A11
SCHEMBL16770307 0.87 NOD1 (0.38) PTGS1GSTK1DPP4DPP8DPP9
SCHEMBL19934772 0.83 PTGS1 (0.43) PTGS1GSTK1ACENOD1SLC7A11
SCHEMBL19934741 0.83 PTGS1 (0.43) PTGS1GSTK1ACENOD1SLC7A11
SCHEMBL21153867 0.83 PTGS1 (0.43) PTGS1GSTK1ACENOD1SLC7A11

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 PTGS1 1697/4885GSTK1 751/4885ACE 4638/4885
US-11008286-B2 Amino mercaptan compound and preparation method therefor and use thereof in protection against radiation MGMT, GSTA1, PRMT1 PTGS1 455/4885GSTK1 260/4885ACE 2519/4885

“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.