SCHEMBL20350874

SCHEMBL20350874

Cc1cc(=O)[nH]c(SC(C)C(=O)O)c1C#N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.58
▸ ALDH1A1 P00352 7/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ HPGD P15428 3/20 0.54
▸ UPP1 Q16831 1/20 0.51
▸ HTT P42858 4/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ LMNA P02545 4/20 0.48
▸ HSD17B10 Q99714 3/20 0.48
▸ TP53 P04637 1/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ RECQL P46063 1/20 0.48
▸ ALOX15 P16050 1/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ GAA P10253 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ CRHBP P24387 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ ACMSD Q8TDX5 1/20 0.44

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
SCHEMBL26404093 0.88 TSHR (0.56) TSHRALDH1A1KMT2AHPGDUPP1
SCHEMBL20340182 0.83 KDM4E (0.64) TSHRALDH1A1KMT2AHPGDHTT
SCHEMBL26404089 0.78 HPGD (0.58) TSHRALDH1A1KMT2AHPGDUPP1
SCHEMBL26404106 0.77 TSHR (0.56) TSHRALDH1A1KMT2AHPGDUPP1
SCHEMBL23183510 0.76 TSHR (0.80) TSHRALDH1A1KMT2AHPGDUPP1
SCHEMBL26403803 0.74 TSHR (0.67) TSHRALDH1A1KMT2AHPGDUPP1
SCHEMBL14110759 0.73 TSHR (1.00) TSHRALDH1A1KMT2AHPGDUPP1
SCHEMBL12818167 0.71 ALDH1A1 (0.78) TSHRALDH1A1KMT2AHPGDUPP1
SCHEMBL26404201 0.70 TSHR (0.74) TSHRALDH1A1KMT2AHPGDUPP1
SCHEMBL26404104 0.69 HPGD (0.57) TSHRALDH1A1KMT2AHPGDUPP1

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-11780812-B2 Oxopyridine derivatives useful as aminocarboxymuconate semialdehyde decarboxylase (ACMSD) inhibitors ORSOBIO, INC. (US) 2023-10-10 — — US disclosed
US-11780812-B2 Oxopyridine derivatives useful as aminocarboxymuconate semialdehyde decarboxylase (ACMSD) inhibitors ORSOBIO, INC. (US) 2023-10-10 — — US disclosed
US-20210094916-A1 OXOPYRIDINE DERIVATIVES USEFUL AS AMINOCARBOXYMUCONATE SEMIALDEHYDE DECARBOXYLASE (ACMSD) INHIBITORS ORSOBIO, INC. 2021-04-01 — — US disclosed
WO-2018125983-A1 OXOPYRIDINE DERIVATIVES USEFUL AS AMINOCARBOXYMUCONATE SEMIALDEHYDE DECARBOXYLASE (ACMSD) INHIBITORS MITOBRIDGE, INC. (US) 2018-07-05 — — WO 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-20210094916-A1 OXOPYRIDINE DERIVATIVES USEFUL AS AMINOCARBOXYMUCONATE SEMIALDEHYDE DECARBOXYLASE (ACMSD) INHIBITORS ALDH7A1, OTC, DDC TSHR 4341/4885ALDH1A1 417/4885KMT2A 1374/4885
US-11780812-B2 Oxopyridine derivatives useful as aminocarboxymuconate semialdehyde decarboxylase (ACMSD) inhibitors ALDH7A1, ACMSD, AMD1 TSHR 4389/4885ALDH1A1 370/4885KMT2A 1309/4885

“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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