SCHEMBL29774451

SCHEMBL29774451

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nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.52
GSTK1 Q9Y2Q3 1/20 0.52
BMP1 P13497 2/20 0.48
MAPT P10636 2/20 0.47
PTGS2 P35354 2/20 0.47
KDM4E B2RXH2 1/20 0.47
THRB P10828 1/20 0.47
ALOX15 P16050 1/20 0.47
NFKB1 P19838 1/20 0.47
THPO P40225 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FOLH1 Q04609 3/20 0.45
SIRT5 Q9NXA8 2/20 0.42
GNPAT O15228 1/20 0.41
GLO1 Q04760 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL4632742 0.91 MAPT (0.56) PTGS1GSTK1BMP1MAPTPTGS2
SCHEMBL4739156 0.89 PTGS1 (0.50) PTGS1GSTK1BMP1MAPTPTGS2
SCHEMBL18263621 0.88 MAPT (0.60) PTGS1GSTK1MAPTPTGS2KDM4E
SCHEMBL4424322 0.88 MAPT (0.60) PTGS1GSTK1MAPTPTGS2KDM4E
SCHEMBL31514543 0.87 FOLH1 (0.61) BMP1MAPTPTGS2KDM4ETHRB
SCHEMBL30148833 0.85 PTGS1 (0.59) PTGS1GSTK1BMP1MAPTPTGS2
SCHEMBL28927466 0.85 PTGS1 (0.59) PTGS1GSTK1BMP1MAPTPTGS2
SCHEMBL31517444 0.84 PTGS1 (0.54) PTGS1GSTK1BMP1MAPTPTGS2
SCHEMBL20787749 0.83 PTGS1 (0.67) PTGS1GSTK1MAPTPTGS2KDM4E
SCHEMBL236405 0.83 PTGS1 (0.67) PTGS1GSTK1MAPTPTGS2KDM4E

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
CN-116964069-A Stabilized liquid compositions comprising levodopa-tyrosine conjugates and uses thereof 纽罗德姆有限公司 2023-10-27 CN disclosed
US-20220362386-A1 LIQUID COMPOSITIONS COMPRISING A LEVODOPA AMINO ACID CONJUGATE AND USES THEREOF NEURODERM LTD (IL) 2022-11-17 US disclosed
EP-4025200-A1 LIQUID COMPOSITIONS COMPRISING A LEVODOPA AMINO ACID CONJUGATE AND USES THEREOF Neuroderm Ltd (IL) 2022-07-13 EP 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 PTGS1 1966/4885GSTK1 683/4885BMP1 4706/4885
US-20220362386-A1 LIQUID COMPOSITIONS COMPRISING A LEVODOPA AMINO ACID CONJUGATE AND USES THEREOF DAO, DDC, AADAT PTGS1 1669/4885GSTK1 482/4885BMP1 4803/4885

“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.