SCHEMBL21134741

SCHEMBL21134741

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.55
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
ALOX15 P16050 1/20 0.50
NFKB1 P19838 1/20 0.50
PTGS2 P35354 1/20 0.50
THPO P40225 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
FOLH1 Q04609 1/20 0.47
PTGS1 P23219 2/20 0.44
GSTK1 Q9Y2Q3 1/20 0.44
SLC7A11 Q9UPY5 1/20 0.43
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ENPEP Q07075 2/20 0.38
FNTA P49354 2/20 0.37
FNTB P49356 2/20 0.37

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
SCHEMBL16770231 1.00 ACE (0.55) ACEKDM4EMAPTTHRBALOX15
SCHEMBL7202874 0.91 ACE (0.43) ACEKDM4EMAPTTHRBALOX15
SCHEMBL7202871 0.91 ACE (0.43) ACEKDM4EMAPTTHRBALOX15
SCHEMBL31097756 0.88 ACE (0.51) ACEKDM4EMAPTTHRBALOX15
SCHEMBL30438134 0.87 ACE (0.41) ACEKDM4EMAPTTHRBALOX15
SCHEMBL4459984 0.87 ACE (0.53) ACEKDM4EMAPTTHRBALOX15
SCHEMBL4457183 0.87 ACE (0.53) ACEKDM4EMAPTTHRBALOX15
SCHEMBL30804149 0.87 TGFBR1 (0.47) ACEKDM4EMAPTTHRBALOX15
SCHEMBL4457189 0.87 ACE (0.53) ACEKDM4EMAPTTHRBALOX15
SCHEMBL30437433 0.87 ACE (0.41) ACEKDM4EMAPTTHRBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250277012-A1 CONJUGATED HEPCIDIN MIMETICS PROTAGONIST THERAPEUTICS, INC. 2025-09-04 US disclosed
US-20250271447-A1 MULTIPLEXING HOMOCYSTEINE AND CYSTEINE IN FIRST-TIER SCREENING ASSAYS US HEALTH (US) 2025-08-28 US disclosed
EP-4511658-A1 MULTIPLEXING HOMOCYSTEINE AND CYSTEINE IN FIRST-TIER SCREENING ASSAYS The United States of America, as represented by The Secretary, Department of Health and Human Services (US) 2025-02-26 EP disclosed
US-12162924-B2 Method for the design of fibrillar collagen-mimetic peptide self-assemblies WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2024-12-10 US disclosed
WO-2023205248-A1 MULTIPLEXING HOMOCYSTEINE AND CYSTEINE IN FIRST-TIER SCREENING ASSAYS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-10-26 WO disclosed
US-20220265791-A1 TARGET PEPTIDES FOR CANCER THERAPY AND DIAGNOSTICS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2022-08-25 US disclosed
US-20220112269-A1 METHOD FOR THE DESIGN OF FIBRILLAR COLLAGEN-MIMETIC PEPTIDE SELF-ASSEMBLIES WISCONSIN ALUMNI RESEARCH FOUNDATION 2022-04-14 US disclosed
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 (3 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 ACE 4638/4885KDM4E 3896/4885MAPT 4790/4885
US-20250277012-A1 CONJUGATED HEPCIDIN MIMETICS HAMP, VIP, HDGF ACE 3865/4885KDM4E 4525/4885MAPT 4701/4885
US-11008286-B2 Amino mercaptan compound and preparation method therefor and use thereof in protection against radiation MGMT, GSTA1, PRMT1 ACE 2519/4885KDM4E 2423/4885MAPT 3969/4885

“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.