SCHEMBL24348537

SCHEMBL24348537

Cc1nc(CNC(=O)C(C)(C)C)sc1-c1csc(-c2cc(F)c(O)c(F)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BPGM P07738 2/20 0.40
▸ GPR52 Q9Y2T5 4/20 0.35
▸ PIK3CD O00329 3/20 0.33
▸ PIK3CG P48736 3/20 0.33
▸ PIK3CA P42336 2/20 0.33
▸ PIK3CB P42338 2/20 0.33
▸ PI4KB Q9UBF8 5/20 0.32
▸ MIF P14174 1/20 0.32
▸ CFTR P13569 2/20 0.31
▸ PTGES O14684 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ PIK3C2A O00443 1/20 0.31
▸ PIK3C2B O00750 1/20 0.31
▸ RPS6KA4 O75676 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ STK17A Q9UEE5 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
SCHEMBL24348954 0.83 BPGM (0.53) BPGMPIK3CGPI4KBCFTR
SCHEMBL24271954 0.83 BPGM (0.38) BPGMGPR52PIK3CDPIK3CGPI4KB
SCHEMBL24272275 0.82 BPGM (0.38) BPGMGPR52PI4KB
SCHEMBL24348947 0.80 BPGM (0.37) BPGMGPR52PIK3CG
SCHEMBL24348059 0.76 BPGM (0.41) BPGMGPR52PIK3CDPIK3CGPIK3CA
SCHEMBL24348037 0.76 BPGM (0.60) BPGMPIK3CDPIK3CGPIK3CAPI4KB
SCHEMBL24348530 0.71 BPGM (0.47) BPGMGPR52STK17A
SCHEMBL24348944 0.70 BPGM (0.68) BPGMPIK3CDPIK3CGPIK3CAPI4KB
SCHEMBL24272082 0.70 BPGM (0.43) BPGMGPR52
SCHEMBL24271860 0.70 BPGM (0.51) BPGMPI4KBCFTR

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 1/4885GPR52 3680/4885PIK3CD 1201/4885

“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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