SCHEMBL18650384

SCHEMBL18650384

Cc1oc(=O)oc1COC(=O)N[C@H](CSC(=O)OCc1oc(=O)oc1C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 6/20 0.37
▸ FOLH1 Q04609 1/20 0.35
▸ PPARA Q07869 4/20 0.35
▸ PPARG P37231 2/20 0.35
▸ FNTA P49354 1/20 0.33
▸ FNTB P49356 1/20 0.33
▸ CHRM1 P11229 1/20 0.32
▸ TBXA2R P21731 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ CTSK P43235 2/20 0.31
▸ TGM2 P21980 1/20 0.31
▸ SLC17A5 Q9NRA2 1/20 0.30
▸ ITGB3 P05106 1/20 0.30
▸ ITGAV P06756 1/20 0.30

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
SCHEMBL18631756 1.00 TYR (0.37) TYRFOLH1PPARAPPARGFNTA
SCHEMBL18631761 0.91 PSMB11 (0.35) FOLH1PPARGCHRM1TBXA2RADRA1A
SCHEMBL18650397 0.91 PSMB11 (0.35) FOLH1PPARGCHRM1TBXA2RADRA1A
SCHEMBL20510688 0.91 PSMB11 (0.35) FOLH1PPARGCHRM1TBXA2RADRA1A
SCHEMBL18653852 0.89 CYP1A2 (0.36) TYRFOLH1FNTAFNTB
SCHEMBL18650366 0.88 TYR (0.31) TYRFOLH1
SCHEMBL20122450 0.85 ACE (0.37) FOLH1CHRM1TBXA2RADRA1A
SCHEMBL20122425 0.85 FOLH1 (0.32) FOLH1CHRM1TBXA2RADRA1A
SCHEMBL18653853 0.83 PPARA (0.43) TYRFOLH1PPARAPPARGFNTA
SCHEMBL30799800 0.82 FOLH1 (0.40) TYRFOLH1TGM2ITGB3ITGAV

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 TYR 1601/4885FOLH1 533/4885PPARA 1993/4885

“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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