SCHEMBL24272033

SCHEMBL24272033

Cc1nc(Cc2ccccc2)sc1-c1cccc(-c2ccc(C(=O)O)c(O)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GPR52 Q9Y2T5 15/20 0.53
▸ ACMSD Q8TDX5 2/20 0.50
▸ HNF4A P41235 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ XDH P47989 1/20 0.43
▸ SLC22A12 Q96S37 1/20 0.43

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
SCHEMBL24272034 0.94 GPR52 (0.50) GPR52ACMSDHNF4A
SCHEMBL24271968 0.90 ACMSD (0.49) GPR52ACMSDHNF4AXDHSLC22A12
SCHEMBL24271871 0.90 GPR52 (0.58) GPR52SMN1; SMN2
SCHEMBL24271730 0.90 PDK1 (0.49) GPR52ACMSDHNF4AXDHSLC22A12
SCHEMBL24271870 0.89 GPR52 (0.48) GPR52ACMSDHNF4AXDHSLC22A12
SCHEMBL24271743 0.89 ACMSD (0.49) GPR52ACMSDHNF4AXDHSLC22A12
SCHEMBL24271874 0.88 XDH (0.57) GPR52XDHSLC22A12
SCHEMBL24271957 0.88 GPR52 (0.51) GPR52ACMSDHNF4AXDHSLC22A12
SCHEMBL24272027 0.88 ACMSD (0.44) GPR52ACMSDHNF4AXDHSLC22A12
SCHEMBL24272025 0.87 GPR52 (0.46) GPR52ACMSDHNF4AXDHSLC22A12

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 GPR52 2667/4885ACMSD 253/4885HNF4A 1844/4885

“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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