SCHEMBL24272003

SCHEMBL24272003

Cc1nc(Cc2cccnc2)sc1-c1cccc(-c2ccc(C(=O)O)c(O)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 3/20 0.45
▸ GPR52 Q9Y2T5 13/20 0.43
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HTR2C P28335 1/20 0.38

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
SCHEMBL24271730 0.89 PDK1 (0.49) PDK1GPR52MEN1KMT2A
SCHEMBL24272060 0.86 EIF4E (0.46) PDK1GPR52MEN1KMT2A
SCHEMBL24271797 0.84 GPR52 (0.39) PDK1GPR52HTR2C
SCHEMBL24271979 0.83 MEN1 (0.41) GPR52MEN1KMT2A
SCHEMBL24272071 0.81 BPGM (0.56) PDK1GPR52MEN1KMT2A
SCHEMBL24271817 0.79 MEN1 (0.55) PDK1MEN1KMT2A
SCHEMBL24271847 0.79 BPGM (0.45) PDK1GPR52MEN1KMT2A
SCHEMBL24272034 0.79 GPR52 (0.50) PDK1GPR52
SCHEMBL24272068 0.78 BPGM (0.44) GPR52MEN1KMT2A
SCHEMBL24272033 0.78 GPR52 (0.53) GPR52

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 PDK1 90/4885GPR52 2667/4885MEN1 3174/4885

“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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