SCHEMBL24271773

SCHEMBL24271773

COC(=O)c1cc(F)c(-c2nc(-c3sc(CN)nc3C)cs2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BPGM P07738 2/20 0.47
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ MAPT P10636 9/20 0.36
▸ ALDH1A1 P00352 8/20 0.36
▸ SMN1; SMN2 Q16637 6/20 0.36
▸ HTT P42858 5/20 0.36
▸ TDP1 Q9NUW8 4/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ GPR52 Q9Y2T5 1/20 0.35
▸ CFTR P13569 3/20 0.35
▸ GAA P10253 5/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MEN1 O00255 8/20 0.35
▸ KMT2A Q03164 8/20 0.35
▸ LMNA P02545 4/20 0.35
▸ HPGD P15428 2/20 0.34

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
SCHEMBL24271875 0.91 BPGM (0.48) BPGMPIK3CDPIK3CAMAPTALDH1A1
SCHEMBL24272040 0.90 BPGM (0.50) BPGMPIK3CDPIK3CAMAPTALDH1A1
SCHEMBL24271790 0.81 BPGM (0.51) BPGMPIK3CDPIK3CAMAPTALDH1A1
SCHEMBL24271741 0.81 BPGM (0.46) BPGMPIK3CDPIK3CATDP1GAA
SCHEMBL26750734 0.76 GPR52 (0.34) BPGMMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL24272280 0.76 GPR52 (0.34) BPGMALDH1A1SMN1; SMN2KDM4EGPR52
SCHEMBL30634057 0.75 ALDH1A1 (0.42) BPGMMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL24272283 0.75 GPR52 (0.33) BPGMALDH1A1SMN1; SMN2KDM4EGPR52
SCHEMBL24271787 0.74 BPGM (0.47) BPGMPIK3CDPIK3CAMAPTGAA
SCHEMBL30634056 0.74 BPGM (0.47) BPGMPIK3CDPIK3CAMAPTGAA

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 BPGM 1/4885PIK3CD 1785/4885PIK3CA 627/4885

“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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