SCHEMBL22764801

SCHEMBL22764801

COC(=O)[C@H](CSSC[C@H](NC(C)=O)C(N)=O)NC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.43
ITGA4 P13612 2/20 0.43
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
NFKB1 P19838 1/20 0.35
PTGS2 P35354 1/20 0.35
THPO P40225 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TLR2 O60603 1/20 0.33
GAA P10253 1/20 0.33
FOLH1 Q04609 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
SCHEMBL2873174 0.91 ITGB1 (0.48) ITGB1ITGA4KDM4EMAPTTHRB
SCHEMBL2872923 0.91 ITGB1 (0.48) ITGB1ITGA4KDM4EMAPTTHRB
SCHEMBL2408947 0.91 ITGB1 (0.48) ITGB1ITGA4KDM4EMAPTTHRB
SCHEMBL24378315 0.89 ITGB1 (0.44) ITGB1ITGA4KDM4EMAPTTHRB
SCHEMBL12807816 0.89 MAPT (0.42) ITGB1ITGA4KDM4EMAPTTHRB
SCHEMBL20850498 0.89 MAPT (0.42) ITGB1ITGA4KDM4EMAPTTHRB
SCHEMBL20830443 0.89 MAPT (0.42) ITGB1ITGA4KDM4EMAPTTHRB
SCHEMBL9802984 0.89 MAPT (0.42) ITGB1ITGA4KDM4EMAPTTHRB
SCHEMBL13696412 0.85 MAPT (0.39) ITGB1ITGA4KDM4EMAPTTHRB
SCHEMBL26234723 0.85 MAPT (0.39) ITGB1ITGA4KDM4EMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200385342-A1 Methods of Making Deuterium-Enriched N-acetylcysteine Amide (D-NACA) and (2R, 2R')-3,3'-Disulfanediyl BIS(2-Acetamidopropanamide) (DINACA) and Using D-NACA and DINACA to Treat Diseases Involving Oxidative Stress NACUITY PHARMACEUTICALS, INC. 2020-12-10 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 (1 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-20200385342-A1 Methods of Making Deuterium-Enriched N-acetylcysteine Amide (D-NACA) and (2R, 2R')-3,3'-Disulfanediyl BIS(2-Acetamidopropanamide) (DINACA) and Using D-NACA and DINACA to Treat Diseases Involving Oxidative Stress SNCA, ACAA2, CRYAA ITGB1 676/4885ITGA4 1069/4885KDM4E 4568/4885

“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.