SCHEMBL25471797

SCHEMBL25471797

O=C(N[C@@H](Cc1ccc(OCc2ccccc2)c(O)c1)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)c(O)c1)C(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYR P14679 2/20 0.54
▸ TACR1 P25103 2/20 0.52
▸ CTSL P07711 5/20 0.52
▸ CTSB P07858 4/20 0.52
▸ CTSS P25774 4/20 0.52
▸ CTSK P43235 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.48

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
SCHEMBL9744847 0.96 TYR (0.58) TYRTACR1CTSLCTSBCTSS
SCHEMBL25471796 0.92 TYR (0.54) TYRTACR1CTSLCTSBCTSS
SCHEMBL29774427 0.92 TYR (0.54) TYRTACR1CTSLCTSBCTSS
SCHEMBL25471896 0.91 TYR (0.52) TYRTACR1CTSLCTSBCTSS
SCHEMBL25471793 0.91 TYR (0.56) TYRTACR1CTSLCTSBCTSS
SCHEMBL27406814 0.91 TYR (0.56) TYRTACR1CTSLCTSBCTSS
SCHEMBL25471904 0.90 TACR1 (0.53) TYRTACR1CTSLCTSBCTSS
SCHEMBL25471801 0.90 TACR1 (0.53) TYRTACR1CTSLCTSBCTSS
SCHEMBL3642862 0.89 ALDH1A1 (0.55) TYRTACR1CTSLCTSBCTSS
SCHEMBL3642865 0.89 ALDH1A1 (0.55) TYRTACR1CTSLCTSBCTSS

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-20230157985-A1 METHODS FOR TREATMENT OF PARKINSON'S DISEASE NEURODERM, LTD. (IL) 2023-05-25 — — US disclosed
US-20230157985-A1 METHODS FOR TREATMENT OF PARKINSON'S DISEASE NEURODERM, LTD. (IL) 2023-05-25 — — 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-20230157985-A1 METHODS FOR TREATMENT OF PARKINSON'S DISEASE DDC, DDT, COMT TYR 460/4885TACR1 553/4885CTSL 658/4885

“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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