SCHEMBL24272280

SCHEMBL24272280

COC(=O)c1cc(F)c(-c2nc(-c3sc(CO)nc3C)ns2)cc1OC

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GPR52 Q9Y2T5 1/20 0.34
▸ BPGM P07738 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ KDM4E B2RXH2 3/20 0.30
▸ GAA P10253 2/20 0.30

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
SCHEMBL26750734 0.93 GPR52 (0.34) GPR52BPGMTP53ALDH1A1HPGD
SCHEMBL24272283 0.92 GPR52 (0.33) GPR52BPGMTP53ALDH1A1HPGD
SCHEMBL24271877 0.87 GPR52 (0.33) GPR52BPGM
SCHEMBL24271881 0.85 ALDH1A1 (0.40) GPR52ALDH1A1HPGDKDM4EGAA
SCHEMBL30634058 0.85 ALDH1A1 (0.40) GPR52ALDH1A1HPGDKDM4EGAA
SCHEMBL24271875 0.84 BPGM (0.48) GPR52BPGMALDH1A1HPGDSMN1; SMN2
SCHEMBL24271773 0.76 BPGM (0.47) GPR52BPGMALDH1A1HPGDSMN1; SMN2
SCHEMBL24272039 0.75 KDM4E (0.38) ALDH1A1HPGDSMN1; SMN2BACE1KDM4E
SCHEMBL24271985 0.75 RORC (0.36) BPGMALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL24272072 0.73 BPGM (0.47) BPGM

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 2667/4885BPGM 1/4885TP53 678/4885

“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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