SCHEMBL18650385

SCHEMBL18650385

C=C1OC(C)=C(COC(=O)SC[C@H](NC(C)=O)C(=O)OC(C)C)O1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL18650363 0.89 CYP1A2 (0.31) —
SCHEMBL18650352 0.88 MAPT (0.34) KDM4EALDH1A1MAPTRXFP1
SCHEMBL18650364 0.86 ALDH1A1 (0.39) KDM4EALDH1A1MAPTRXFP1
SCHEMBL18650362 0.75 TACR1 (0.38) KDM4EALDH1A1
SCHEMBL18653810 0.75 KDM4E (0.37) KDM4EALDH1A1MAPTRXFP1
SCHEMBL18650371 0.74 MTNR1A (0.37) KDM4EALDH1A1MAPTRXFP1
SCHEMBL18650357 0.73 KIF11 (0.35) —
SCHEMBL18650355 0.72 — —
SCHEMBL18650382 0.71 — —
SCHEMBL4934082 0.71 ALDH1A1 (0.44) KDM4EALDH1A1MAPTRXFP1

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 2 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-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 KDM4E 4872/4885ALDH1A1 513/4885MAPT 333/4885

“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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