SCHEMBL26403952

SCHEMBL26403952

Cc1c(C#N)c(SCC(=O)O)[nH]c(=O)c1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.54
▸ TSHR P16473 1/20 0.48
▸ ALDH1A1 P00352 10/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ HTT P42858 3/20 0.46
▸ HPGD P15428 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ APEX1 P27695 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HSD17B10 Q99714 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ TP53 P04637 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL26403864 0.87 KDM4E (0.51) KDM4ETSHRALDH1A1KMT2AMEN1
SCHEMBL26404299 0.85 MAPT (0.51) KDM4ETSHRALDH1A1KMT2AMEN1
SCHEMBL26404205 0.83 KDM4E (0.48) KDM4ETSHRALDH1A1KMT2AMEN1
SCHEMBL26404316 0.81 ALDH1A1 (0.46) KDM4ETSHRALDH1A1KMT2AHTT
SCHEMBL20340015 0.81 KDM4E (0.58) KDM4ETSHRALDH1A1KMT2AMEN1
SCHEMBL20340117 0.80 KDM4E (0.57) KDM4ETSHRALDH1A1KMT2AMEN1
SCHEMBL23183510 0.76 TSHR (0.80) KDM4ETSHRALDH1A1KMT2AMEN1
SCHEMBL20340035 0.75 KDM4E (0.61) KDM4ETSHRALDH1A1KMT2AMEN1
SCHEMBL20350982 0.73 TSHR (0.40) KDM4ETSHRALDH1A1KMT2AMEN1
SCHEMBL20340043 0.72 KDM4E (0.64) KDM4ETSHRALDH1A1KMT2AMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11780812-B2 Oxopyridine derivatives useful as aminocarboxymuconate semialdehyde decarboxylase (ACMSD) inhibitors ORSOBIO, INC. (US) 2023-10-10 — — 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-11780812-B2 Oxopyridine derivatives useful as aminocarboxymuconate semialdehyde decarboxylase (ACMSD) inhibitors ALDH7A1, ACMSD, AMD1 KDM4E 1040/4885TSHR 4389/4885ALDH1A1 370/4885

“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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