SCHEMBL21134724

SCHEMBL21134724

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 1/20 0.43
ACE P12821 1/20 0.42
PTGS1 P23219 2/20 0.39
SLC7A11 Q9UPY5 1/20 0.39
GSTK1 Q9Y2Q3 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37
PTGS2 P35354 1/20 0.37
THPO P40225 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FNTA P49354 8/20 0.35
FNTB P49356 8/20 0.35
PGGT1B P53609 4/20 0.35
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34

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
SCHEMBL21134870 1.00 BMP1 (0.43) BMP1ACEPTGS1SLC7A11GSTK1
SCHEMBL19934713 0.83 PTGS1 (0.40) ACEPTGS1SLC7A11GSTK1KDM4E
SCHEMBL16770240 0.83 ACE (0.56) ACEPTGS1SLC7A11GSTK1KDM4E
SCHEMBL6809797 0.83 ACE (0.56) ACEPTGS1SLC7A11GSTK1KDM4E
SCHEMBL5665364 0.83 ACE (0.56) ACEPTGS1SLC7A11GSTK1KDM4E
SCHEMBL21084936 0.83 PTGS1 (0.40) ACEPTGS1SLC7A11GSTK1KDM4E
SCHEMBL21084939 0.83 PTGS1 (0.40) ACEPTGS1SLC7A11GSTK1KDM4E
SCHEMBL22969994 0.83 ACE (0.56) ACEPTGS1SLC7A11GSTK1KDM4E
SCHEMBL7072854 0.83 ACE (0.56) ACEPTGS1SLC7A11GSTK1KDM4E
SCHEMBL19934723 0.83 PTGS1 (0.40) ACEPTGS1SLC7A11GSTK1KDM4E

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 BMP1 1779/4885ACE 4638/4885PTGS1 1697/4885
US-11008286-B2 Amino mercaptan compound and preparation method therefor and use thereof in protection against radiation MGMT, GSTA1, PRMT1 BMP1 1926/4885ACE 2519/4885PTGS1 455/4885

“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.