SCHEMBL18650377

SCHEMBL18650377

C=C1OC(COC(=O)SC[C@H](N)C(=O)O)=C(c2ccccc2)O1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.40
▸ KIF11 P52732 15/20 0.38
▸ DNMT1 P26358 1/20 0.38
▸ SLC1A5 Q15758 1/20 0.36
▸ KLKB1 P03952 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
SCHEMBL18650387 0.90 ALDH1A1 (0.34) IDO1KIF11
SCHEMBL18650371 0.83 MTNR1A (0.37) —
SCHEMBL18655548 0.82 IDO1 (0.36) IDO1
SCHEMBL18650357 0.82 KIF11 (0.35) IDO1KIF11
SCHEMBL18650362 0.79 TACR1 (0.38) —
SCHEMBL18650364 0.77 ALDH1A1 (0.39) —
SCHEMBL17928319 0.75 MTNR1A (0.38) —
SCHEMBL18650373 0.75 PPARA (0.35) IDO1
SCHEMBL1374126 0.75 IDO1 (0.58) IDO1KIF11
SCHEMBL30131214 0.75 IDO1 (0.58) IDO1KIF11

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 IDO1 148/4885KIF11 4055/4885DNMT1 3999/4885

“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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