SCHEMBL20830620

SCHEMBL20830620

COC(=O)CCSSC[C@H](NC(C)=O)C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 1/20 0.40
▸ ITGA4 P13612 1/20 0.40
▸ TSHR P16473 3/20 0.36
▸ TLR2 O60603 1/20 0.36
▸ HDAC2 Q92769 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ ALDH1A1 P00352 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 0.87 ITGB1 (0.48) ITGB1ITGA4GAAALDH1A1
SCHEMBL2408947 0.87 ITGB1 (0.48) ITGB1ITGA4GAAALDH1A1
SCHEMBL2872923 0.87 ITGB1 (0.48) ITGB1ITGA4GAAALDH1A1
SCHEMBL20830618 0.83 TSHR (0.38) ITGB1ITGA4TSHRHDAC2ALDH1A1
SCHEMBL24378315 0.82 ITGB1 (0.44) ITGB1ITGA4GAAALDH1A1
SCHEMBL19869069 0.81 CYP1A2 (0.49) ITGB1ITGA4GAAALDH1A1
SCHEMBL11774610 0.80 ITGB1 (0.57) ITGB1ITGA4ALDH1A1
SCHEMBL11774604 0.80 ITGB1 (0.57) ITGB1ITGA4ALDH1A1
SCHEMBL24359843 0.80 ITGB1 (0.57) ITGB1ITGA4ALDH1A1
SCHEMBL22764801 0.79 ITGB1 (0.43) ITGB1ITGA4TLR2GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590073-B2 Method for preparation of N-acetyl cysteine amide and derivatives thereof NACUITY PHARMACEUTICALS, INC. (US) 2020-03-17 — — US disclosed
WO-2019060623-A1 METHOD FOR PREPARATION OF N-ACETYL CYSTEINE AMIDE AND DERIVATIVES THEREOF NACUITY PHARMACEUTICALS, INC. (US) 2019-03-28 — — WO disclosed
US-20190084926-A1 Method for Preparation of N-Acetyl Cysteine Amide and Derivatives Thereof NACUITY PHARMACEUTICALS, INC. 2019-03-21 — — 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-10590073-B2 Method for preparation of N-acetyl cysteine amide and derivatives thereof CTH, AHCY, AADAT ITGB1 4539/4885ITGA4 3215/4885TSHR 2251/4885
US-20190084926-A1 Method for Preparation of N-Acetyl Cysteine Amide and Derivatives Thereof CTH, AHCY, AADAT ITGB1 4539/4885ITGA4 3215/4885TSHR 2251/4885

“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.

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