SCHEMBL24348548

SCHEMBL24348548

COC(=O)NCc1nc(C)c(-c2csc(-c3cc(F)c(O)c(F)c3F)n2)s1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BPGM P07738 5/20 0.77
▸ MAPT P10636 4/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CG P48736 4/20 0.33
▸ OPRM1 P35372 2/20 0.32
▸ PI4KB Q9UBF8 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ HTT P42858 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ PDPK1 O15530 1/20 0.31

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
SCHEMBL24348501 0.90 BPGM (0.63) BPGMMAPTNPC1RAB9APIK3CD
SCHEMBL24348036 0.89 BPGM (0.61) BPGMMAPTPIK3CDPIK3CAPIK3CG
SCHEMBL24348944 0.88 BPGM (0.68) BPGMMAPTNPC1RAB9APIK3CD
SCHEMBL24348037 0.88 BPGM (0.60) BPGMMAPTPIK3CDPIK3CAPIK3CG
SCHEMBL24348948 0.87 BPGM (0.73) BPGMMAPTNPC1RAB9APIK3CD
SCHEMBL24271952 0.86 BPGM (0.68) BPGMMAPTPIK3CGALDH1A1NPSR1
SCHEMBL24348943 0.85 BPGM (0.67) BPGMMAPTNPC1RAB9APIK3CD
SCHEMBL24349277 0.85 BPGM (0.56) BPGMMAPTNPC1RAB9AOPRM1
SCHEMBL24348428 0.84 BPGM (0.75) BPGMMAPTNPC1RAB9APIK3CD
SCHEMBL24348039 0.82 BPGM (0.71) BPGMMAPTNPC1RAB9APIK3CD

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-20230348454-A1 COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 — — US disclosed
US-20230348454-A1 COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 — — US disclosed
WO-2022056449-A1 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-20230348454-A1 COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE BPGM, PGAM1, HBG1 BPGM 1/4885MAPT 2119/4885NPC1 3461/4885

“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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