SCHEMBL25471899

SCHEMBL25471899

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MBTPS1 Q14703 1/20 0.49
▸ TYR P14679 2/20 0.48
▸ ACE P12821 1/20 0.45
▸ ITGA4 P13612 1/20 0.45
▸ ITGB7 P26010 1/20 0.45
▸ CTSL P07711 2/20 0.44
▸ CTSB P07858 2/20 0.44
▸ CTSS P25774 2/20 0.44
▸ TACR1 P25103 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ IL1RN P18510 1/20 0.42
▸ ERAP2 Q6P179 1/20 0.42
▸ ERAP1 Q9NZ08 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ PTPN1 P18031 1/20 0.42

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
SCHEMBL9744259 0.90 TYR (0.58) MBTPS1TYRITGA4ITGB7CTSL
SCHEMBL25471796 0.86 TYR (0.54) TYRCTSLCTSBCTSSTACR1
SCHEMBL29774427 0.86 TYR (0.54) TYRCTSLCTSBCTSSTACR1
SCHEMBL27406814 0.85 TYR (0.56) TYRCTSLCTSBCTSSTACR1
SCHEMBL25471793 0.85 TYR (0.56) TYRCTSLCTSBCTSSTACR1
SCHEMBL25471916 0.85 TACR1 (0.61) MBTPS1TYRACEITGA4ITGB7
SCHEMBL25471895 0.84 TYR (0.49) MBTPS1TYRCTSLCTSBCTSS
SCHEMBL25471896 0.84 TYR (0.52) TYRCTSLCTSBCTSSTACR1
SCHEMBL25471870 0.84 MBTPS1 (0.46) MBTPS1TYRACECTSLCTSB
SCHEMBL17685892 0.84 ITGB3 (0.56) TYRCTSLCTSBCTSSTACR1

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-20240207410-A1 STABILIZED LIQUID COMPOSITIONS COMPRISING A LEVODOPA-TYROSINE CONJUGATE AND USES THEREOF NEURODERM, LTD. (IL) 2024-06-27 — — US disclosed
WO-2023126945-A1 METHODS AND COMPOSITIONS FOR TREATING PARKINSON'S DISEASE NEURODERM, LTD. (IL) 2023-07-06 — — WO disclosed
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 (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-20240207410-A1 STABILIZED LIQUID COMPOSITIONS COMPRISING A LEVODOPA-TYROSINE CONJUGATE AND USES THEREOF COMT, TH, DDT MBTPS1 2689/4885TYR 5/4885ACE 872/4885
US-20230157985-A1 METHODS FOR TREATMENT OF PARKINSON'S DISEASE DDC, DDT, COMT MBTPS1 1739/4885TYR 460/4885ACE 78/4885

“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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