SCHEMBL24348946

SCHEMBL24348946

COC(=O)NCc1nc(C)c(-c2csc(-c3cnc(O)nc3)n2)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BPGM P07738 3/20 0.60
▸ PIK3CG P48736 3/20 0.35
▸ OPRM1 P35372 1/20 0.34
▸ TRPV4 Q9HBA0 3/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ PI4KB Q9UBF8 4/20 0.34
▸ MAPT P10636 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ HPGDS O60760 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ TGFBR1 P36897 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL24348540 0.87 BPGM (0.65) BPGMPIK3CGOPRM1TRPV4CYP19A1
SCHEMBL24348944 0.84 BPGM (0.68) BPGMPIK3CGOPRM1PI4KBMAPT
SCHEMBL24272004 0.82 BPGM (0.57) BPGMMAPTNPSR1MEN1ALDH1A1
SCHEMBL24348538 0.81 BPGM (0.65) BPGMMAPTMEN1ALDH1A1GAA
SCHEMBL24271792 0.81 BPGM (0.57) BPGMMEN1GAAKMT2A
SCHEMBL24272048 0.81 BPGM (0.57) BPGMPIK3CGOPRM1MAPTNPSR1
SCHEMBL24272045 0.81 BPGM (0.57) BPGMPIK3CGTRPV4MAPTNPSR1
SCHEMBL24348943 0.79 BPGM (0.67) BPGMPIK3CGOPRM1PI4KBMAPT
SCHEMBL24348948 0.79 BPGM (0.73) BPGMPIK3CGOPRM1PI4KBMAPT
SCHEMBL24348548 0.78 BPGM (0.77) BPGMPIK3CGOPRM1PI4KBMAPT

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 1/4885PIK3CG 564/4885OPRM1 597/4885

“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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