SCHEMBL21134825

SCHEMBL21134825

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.39
SLC7A11 Q9UPY5 1/20 0.39
NOD1 Q9Y239 1/20 0.38
GSTK1 Q9Y2Q3 1/20 0.35
FNTA P49354 5/20 0.35
FNTB P49356 5/20 0.35
PGGT1B P53609 4/20 0.35
FCER2 P06734 1/20 0.35
ACE P12821 1/20 0.34
ANPEP P15144 1/20 0.33
ENPEP Q07075 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
MMP2 P08253 1/20 0.33

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
SCHEMBL21134855 0.95 PTGS1 (0.38) PTGS1SLC7A11NOD1GSTK1FNTA
SCHEMBL21134791 0.91 PTGS1 (0.35) PTGS1SLC7A11NOD1GSTK1FNTA
SCHEMBL16770307 0.91 NOD1 (0.38) PTGS1NOD1GSTK1FCER2ANPEP
SCHEMBL21153867 0.86 PTGS1 (0.43) PTGS1SLC7A11NOD1GSTK1FNTA
SCHEMBL19934772 0.86 PTGS1 (0.43) PTGS1SLC7A11NOD1GSTK1FNTA
SCHEMBL929488 0.86 PTGS1 (0.43) PTGS1SLC7A11NOD1GSTK1FNTA
SCHEMBL19934870 0.86 PTGS1 (0.43) PTGS1SLC7A11NOD1GSTK1FNTA
SCHEMBL19934741 0.86 PTGS1 (0.43) PTGS1SLC7A11NOD1GSTK1FNTA
SCHEMBL19934630 0.86 PTGS1 (0.43) PTGS1SLC7A11NOD1GSTK1FNTA
SCHEMBL929324 0.85 PTGS1 (0.48) PTGS1SLC7A11GSTK1FNTAFNTB

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 1697/4885SLC7A11 60/4885NOD1 802/4885
US-11008286-B2 Amino mercaptan compound and preparation method therefor and use thereof in protection against radiation MGMT, GSTA1, PRMT1 PTGS1 455/4885SLC7A11 21/4885NOD1 1069/4885

“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.