SCHEMBL18650371

SCHEMBL18650371

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 5/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PAM P19021 1/20 0.37
▸ TACR1 P25103 2/20 0.36
▸ PPARG P37231 1/20 0.34
▸ PRNP P04156 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ MTNR1B P49286 3/20 0.33
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA3 P07451 1/20 0.32
▸ CA4 P22748 1/20 0.32
▸ CA6 P23280 1/20 0.32
▸ CA5A P35218 1/20 0.32

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
SCHEMBL18650362 0.92 TACR1 (0.38) MTNR1AALDH1A1KDM4EPAMTACR1
SCHEMBL18650364 0.90 ALDH1A1 (0.39) MTNR1AALDH1A1KDM4EMAPTPAM
SCHEMBL18650352 0.86 MAPT (0.34) ALDH1A1KDM4EMAPTRAB9APAM
SCHEMBL18650377 0.83 IDO1 (0.40) —
SCHEMBL18650373 0.81 PPARA (0.35) PPARGPPARA
SCHEMBL18650387 0.80 ALDH1A1 (0.34) ALDH1A1KDM4EMAPTRAB9APRNP
SCHEMBL21554078 0.78 PAM (0.51) ALDH1A1PAMTACR1PPARGPPARA
SCHEMBL16700660 0.78 PAM (0.51) ALDH1A1PAMTACR1PPARGPPARA
SCHEMBL18655548 0.77 IDO1 (0.36) MTNR1A
SCHEMBL18650363 0.76 CYP1A2 (0.31) TACR1

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 MTNR1A 940/4885ALDH1A1 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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