SCHEMBL24271817

SCHEMBL24271817

Cc1nc(C)c(-c2cccc(-c3ccc(C(=O)O)c(O)c3)n2)s1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ XDH P47989 6/20 0.47
▸ GAA P10253 1/20 0.47
▸ HNF4A P41235 1/20 0.44
▸ ACMSD Q8TDX5 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ PDK1 Q15118 4/20 0.41
▸ PDK2 Q15119 3/20 0.41
▸ PDK3 Q15120 3/20 0.41
▸ PDK4 Q16654 3/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CDK4 P11802 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ SLC22A12 Q96S37 3/20 0.40
▸ COMT P21964 2/20 0.40
▸ LDHA P00338 1/20 0.40
▸ LDHB P07195 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
SCHEMBL24271979 0.85 MEN1 (0.41) MEN1KMT2AHNF4AACMSDLDHA
SCHEMBL24271846 0.85 ACMSD (0.54) MEN1KMT2AXDHGAAHNF4A
SCHEMBL24271814 0.82 MEN1 (0.57) MEN1KMT2AXDHGAAHNF4A
SCHEMBL24271729 0.81 MEN1 (0.53) MEN1KMT2AXDHGAAHNF4A
SCHEMBL24271865 0.81 MEN1 (0.53) MEN1KMT2AXDHGAAHNF4A
SCHEMBL24271742 0.81 MEN1 (0.65) MEN1KMT2AXDHGAAALDH1A1
SCHEMBL24272090 0.81 MEN1 (0.53) MEN1KMT2AXDHGAAHNF4A
SCHEMBL24271734 0.81 MEN1 (0.51) MEN1KMT2AXDHGAAHNF4A
SCHEMBL24272071 0.81 BPGM (0.56) MEN1KMT2AXDHHNF4AACMSD
SCHEMBL24271836 0.80 MEN1 (0.47) MEN1KMT2AXDHGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348450-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 — — US disclosed
US-20230348450-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 — — US disclosed
WO-2022056447-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION (US) 2022-03-17 — — 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 (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-20230348450-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE BPGM, PGAM1, PGM2 MEN1 3174/4885KMT2A 2181/4885XDH 532/4885

“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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