SCHEMBL18650362

SCHEMBL18650362

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

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 3/20 0.38
▸ MTNR1A P48039 5/20 0.36
▸ ELANE P08246 1/20 0.36
▸ PAM P19021 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MTNR1B P49286 3/20 0.32
▸ TP53 P04637 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
SCHEMBL18650371 0.92 MTNR1A (0.37) TACR1MTNR1APAMKDM4EALDH1A1
SCHEMBL18650364 0.90 ALDH1A1 (0.39) TACR1MTNR1APAMKDM4EALDH1A1
SCHEMBL18650363 0.85 CYP1A2 (0.31) TACR1
SCHEMBL18650387 0.85 ALDH1A1 (0.34) ELANEKDM4EALDH1A1LMNATSHR
SCHEMBL18650365 0.83 GSTP1 (0.33) ELANEALDH1A1
SCHEMBL18650377 0.79 IDO1 (0.40) —
SCHEMBL18650352 0.78 MAPT (0.34) TACR1PAMKDM4EALDH1A1
SCHEMBL18653813 0.76 TACR1 (0.38) TACR1ELANEPAMALDH1A1LMNA
SCHEMBL18655548 0.75 IDO1 (0.36) MTNR1A
SCHEMBL18650385 0.75 KDM4E (0.36) KDM4EALDH1A1

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 TACR1 1923/4885MTNR1A 940/4885ELANE 902/4885

“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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