SCHEMBL30131214

SCHEMBL30131214

N[C@H](CSC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 3/20 0.58
▸ ALPI P09923 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ PTGS1 P23219 1/20 0.50
▸ XIAP P98170 1/20 0.50
▸ SLC7A5 Q01650 1/20 0.50
▸ SLC1A1 P43005 5/20 0.49
▸ SLC1A3 P43003 4/20 0.48
▸ KIF11 P52732 5/20 0.48
▸ SLC15A1 P46059 1/20 0.47
▸ SLC1A2 P43004 3/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ MAPK1 P28482 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL1374123 1.00 IDO1 (0.58) IDO1ALPIPKMPTGS1XIAP
SCHEMBL1374126 1.00 IDO1 (0.58) IDO1ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL29398539 0.98 IDO1 (0.61) IDO1ALPIPKMPTGS1XIAP
SCHEMBL7543851 0.87 KIF11 (0.48) IDO1SLC1A1SLC1A3KIF11KMT2A
SCHEMBL7543855 0.87 KIF11 (0.48) IDO1SLC1A1SLC1A3KIF11KMT2A
SCHEMBL10996772 0.85 IDO1 (0.56) IDO1ALPIPKMPTGS1XIAP
SCHEMBL10996770 0.85 IDO1 (0.56) IDO1ALPIPKMPTGS1XIAP
SCHEMBL19493644 0.82 IDO1 (0.46) IDO1SLC1A1SLC1A3SLC15A1SLC1A2
SCHEMBL6576329 0.81 ALPI (0.50) IDO1ALPIPKMPTGS1XIAP
SCHEMBL6577929 0.81 ALPI (0.50) IDO1ALPIPKMPTGS1XIAP

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-12162954-B2 Method for preparing etelcalcetide hydrochloride KRISAN BIOTECH CO., LTD. (TW) 2024-12-10 — — US disclosed
US-20230043220-A1 METHOD FOR PREPARING ETELCALCETIDE HYDROCHLORIDE KRISAN BIOTECH CO., LTD. (TW) 2023-02-09 — — 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 (2 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-12162954-B2 Method for preparing etelcalcetide hydrochloride PTH1R, ECE2, PTMS IDO1 3989/4885ALPI 769/4885PKM 3792/4885
US-20230043220-A1 METHOD FOR PREPARING ETELCALCETIDE HYDROCHLORIDE PTH1R, ECE2, PTMS IDO1 3989/4885ALPI 769/4885PKM 3792/4885

“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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