SCHEMBL24349248

SCHEMBL24349248

Cc1nc(COC(=O)N2CCC(O)C2)sc1-c1cccc(-c2cc(F)c3nn[nH]c3c2F)n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BPGM P07738 6/20 0.46
▸ GRIN2B Q13224 6/20 0.33
▸ TRPC3 Q13507 1/20 0.32
▸ TRPC7 Q9HCX4 1/20 0.32
▸ USP30 Q70CQ3 1/20 0.32
▸ HTR2C P28335 2/20 0.31
▸ GHSR Q92847 1/20 0.31
▸ MAP3K5 Q99683 1/20 0.31
▸ F2RL3 Q96RI0 1/20 0.31
▸ ADORA2A P29274 1/20 0.30
▸ ADORA2B P29275 1/20 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
SCHEMBL24348045 0.95 BPGM (0.47) BPGMGRIN2BTRPC3TRPC7HTR2C
SCHEMBL24348425 0.94 BPGM (0.48) BPGMGRIN2BMAP3K5F2RL3
SCHEMBL24348462 0.93 BPGM (0.45) BPGMGRIN2BTRPC3TRPC7USP30
SCHEMBL24348391 0.92 BPGM (0.44) BPGMGRIN2BTRPC3TRPC7USP30
SCHEMBL24348468 0.92 BPGM (0.44) BPGMGRIN2BTRPC3TRPC7
SCHEMBL24349259 0.91 BPGM (0.37) BPGMGRIN2BUSP30
SCHEMBL24348430 0.91 BPGM (0.36) BPGMGRIN2BTRPC3TRPC7USP30
SCHEMBL24348019 0.90 BPGM (0.50) BPGMHTR2CADORA2AADORA2B
SCHEMBL24348423 0.87 BPGM (0.41) BPGMHTR2CADORA2AADORA2B
SCHEMBL24348395 0.86 BPGM (0.47) BPGMGRIN2BTRPC3TRPC7HTR2C

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 1/4885GRIN2B 3822/4885TRPC3 3860/4885

“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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