SCHEMBL18650397

SCHEMBL18650397

CC(=O)N[C@H](CSC(=O)OCc1oc(=O)oc1C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB11 A5LHX3 1/20 0.35
▸ PSMA7 O14818 1/20 0.35
▸ PSMB1 P20618 1/20 0.35
▸ PSMA1 P25786 1/20 0.35
▸ PSMA2 P25787 1/20 0.35
▸ PSMA3 P25788 1/20 0.35
▸ PSMA4 P25789 1/20 0.35
▸ PSMB8 P28062 1/20 0.35
▸ PSMB9 P28065 1/20 0.35
▸ PSMA5 P28066 1/20 0.35
▸ PSMB4 P28070 1/20 0.35
▸ PSMB6 P28072 1/20 0.35
▸ PSMB5 P28074 1/20 0.35
▸ PSMB10 P40306 1/20 0.35
▸ PSMB3 P49720 1/20 0.35
▸ PSMB2 P49721 1/20 0.35
▸ PSMA6 P60900 1/20 0.35
▸ SF3B3 Q15393 1/20 0.35
▸ PSMA8 Q8TAA3 1/20 0.35
▸ PSMB7 Q99436 1/20 0.35

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
SCHEMBL20510688 1.00 PSMB11 (0.35) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL18631761 1.00 PSMB11 (0.35) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL18631756 0.91 TYR (0.37) FOLH1CHRM1TBXA2RADRA1APPARG
SCHEMBL18650384 0.91 TYR (0.37) FOLH1CHRM1TBXA2RADRA1APPARG
SCHEMBL18650403 0.89 TACR1 (0.33) FOLH1TACR1
SCHEMBL18653810 0.87 KDM4E (0.37) FOLH1MAPTKDM4EALDH1A1RXFP1
SCHEMBL20122450 0.85 ACE (0.37) FOLH1CHRM1TBXA2RADRA1A
SCHEMBL20122425 0.85 FOLH1 (0.32) FOLH1CHRM1TBXA2RADRA1A
SCHEMBL18653811 0.84 PAM (0.38) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL20510285 0.80 FOLH1 (0.38) FOLH1MAPTALOX15BLMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9630918-B2 Cysteine, N-acetylcysteine, and penicillamine related compounds, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2017-04-25 — — US disclosed
US-9630918-B2 Cysteine, N-acetylcysteine, and penicillamine related compounds, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2017-04-25 — — US disclosed
US-20170081280-A1 CYSTEINE, N-ACETYLCYSTEINE, AND PENICILLAMINE RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-03-23 — — US disclosed
US-20170081280-A1 CYSTEINE, N-ACETYLCYSTEINE, AND PENICILLAMINE RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-03-23 — — 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-20170081280-A1 CYSTEINE, N-ACETYLCYSTEINE, AND PENICILLAMINE RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE NAT1, HHAT, CBS PSMB11 1845/4885PSMA7 1939/4885PSMB1 1047/4885

“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.

Send feedback