SCHEMBL20830618

SCHEMBL20830618

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.38
▸ HSD17B10 Q99714 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ ITGB1 P05556 1/20 0.35
▸ ITGA4 P13612 1/20 0.35
▸ ABL1 P00519 1/20 0.33
▸ RIN1 Q13671 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ L3MBTL1 Q9Y468 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
SCHEMBL20830750 0.86 ITGB1 (0.42) ALDH1A1ITGB1ITGA4USP2L3MBTL1
SCHEMBL13668090 0.86 ITGB1 (0.42) ALDH1A1ITGB1ITGA4USP2L3MBTL1
SCHEMBL20830620 0.83 ITGB1 (0.40) TSHRALDH1A1ITGB1ITGA4HDAC2
SCHEMBL20830444 0.78 ITGB1 (0.38) HSD17B10ALDH1A1ITGB1ITGA4L3MBTL1
SCHEMBL19869069 0.77 CYP1A2 (0.49) ALDH1A1MAPTHTTITGB1ITGA4
SCHEMBL22307325 0.77 TSHR (0.40) TSHRHSD17B10LMNAKMT2AALDH1A1
SCHEMBL20980012 0.77 TSHR (0.40) TSHRHSD17B10LMNAKMT2AALDH1A1
SCHEMBL20850510 0.77 KIF11 (0.39) HSD17B10ALDH1A1ITGB1ITGA4USP2
SCHEMBL284589 0.76 TSHR (0.63) TSHRHSD17B10LMNAKMT2AALDH1A1
SCHEMBL13243712 0.75 TSHR (0.46) TSHRHSD17B10LMNAKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548851-B2 Method for preparation of n-acetyl cysteine amide and derivatives thereof NACUITY PHARMACEUTICALS, INC. (US) 2023-01-10 — — US disclosed
US-20220024866-A1 Method for Preparation of N-Acetyl Cysteine Amide and Derivatives Thereof NACUITY PHARMACEUTICALS, INC. 2022-01-27 — — US disclosed
US-11091433-B2 Method for preparation of N-acetyl cysteine amide and derivatives thereof Nacuity Pharmaceutials, Inc. (US) 2021-08-17 — — US disclosed
US-20200277258-A1 Method for Preparation of N-Acetyl Cysteine Amide and Derivatives Thereof NACUITY PHARMACEUTICALS, INC. 2020-09-03 — — US disclosed
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 (6 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-11548851-B2 Method for preparation of n-acetyl cysteine amide and derivatives thereof AADAC, GCLC, DDC TSHR 2622/4885HSD17B10 2027/4885LMNA 1577/4885
US-20220024866-A1 Method for Preparation of N-Acetyl Cysteine Amide and Derivatives Thereof AADAC, GCLC, DDC TSHR 2622/4885HSD17B10 2027/4885LMNA 1577/4885
US-20200277258-A1 Method for Preparation of N-Acetyl Cysteine Amide and Derivatives Thereof AADAC, GCLC, DDC TSHR 2622/4885HSD17B10 2027/4885LMNA 1577/4885
US-10590073-B2 Method for preparation of N-acetyl cysteine amide and derivatives thereof CTH, AHCY, AADAT TSHR 2251/4885HSD17B10 1199/4885LMNA 3350/4885
US-20190084926-A1 Method for Preparation of N-Acetyl Cysteine Amide and Derivatives Thereof CTH, AHCY, AADAT TSHR 2251/4885HSD17B10 1199/4885LMNA 3350/4885
US-11091433-B2 Method for preparation of N-acetyl cysteine amide and derivatives thereof AADAC, GCLC, DDC TSHR 2622/4885HSD17B10 2027/4885LMNA 1577/4885

“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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