SCHEMBL18650352

SCHEMBL18650352

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ THRB P10828 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ THPO P40225 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PSMB11 A5LHX3 1/20 0.33
▸ PSMA7 O14818 1/20 0.33
▸ PSMB1 P20618 1/20 0.33
▸ PSMA1 P25786 1/20 0.33
▸ PSMA2 P25787 1/20 0.33
▸ PSMA3 P25788 1/20 0.33
▸ PSMA4 P25789 1/20 0.33
▸ PSMB8 P28062 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
SCHEMBL18650363 0.90 CYP1A2 (0.31) TACR1
SCHEMBL18650385 0.88 KDM4E (0.36) MAPTALDH1A1KDM4ERXFP1
SCHEMBL18650371 0.86 MTNR1A (0.37) MAPTALDH1A1KDM4ERAB9APRNP
SCHEMBL18650366 0.81 TYR (0.31) —
SCHEMBL18650357 0.81 KIF11 (0.35) —
SCHEMBL18650362 0.78 TACR1 (0.38) ALDH1A1KDM4ETACR1PAM
SCHEMBL18650364 0.76 ALDH1A1 (0.39) MAPTALDH1A1KDM4ERXFP1TACR1
SCHEMBL8581722 0.75 MAPT (0.46) MAPTALDH1A1KDM4ERAB9ATHRB
SCHEMBL18631761 0.73 PSMB11 (0.35) MAPTALDH1A1KDM4ERAB9ATHRB
SCHEMBL20510688 0.73 PSMB11 (0.35) MAPTALDH1A1KDM4ERAB9ATHRB

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

“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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