SCHEMBL24349277

SCHEMBL24349277

COC(=O)NCc1nc(C)c(-c2cccc(-c3cc(F)c(O)c(F)c3F)n2)s1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BPGM P07738 5/20 0.56
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ PDPK1 O15530 1/20 0.34
▸ SCD O00767 1/20 0.33
▸ GPR52 Q9Y2T5 4/20 0.32
▸ CHRM4 P08173 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ HPGD P15428 1/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL24348465 0.89 BPGM (0.47) BPGMOPRM1PDPK1SCDGPR52
SCHEMBL24348548 0.85 BPGM (0.77) BPGMNPC1RAB9AOPRM1PDPK1
SCHEMBL24349236 0.84 BPGM (0.45) BPGMNPC1RAB9APDPK1SCD
SCHEMBL24349005 0.84 BPGM (0.56) BPGMNPC1RAB9AOPRM1PDPK1
SCHEMBL24349272 0.82 BPGM (0.55) BPGMPDPK1MAPT
SCHEMBL24272000 0.82 BPGM (0.50) BPGMNPC1RAB9AOPRM1PDPK1
SCHEMBL24349282 0.81 BPGM (0.54) BPGMRAB9AGPR52MAPT
SCHEMBL24348458 0.80 BPGM (0.47) BPGMPDPK1
SCHEMBL24349280 0.79 BPGM (0.57) BPGMRAB9AGPR52MAPT
SCHEMBL24349273 0.79 BPGM (0.75) BPGMRAB9AGPR52MAPT

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 1/4885NPC1 3461/4885RAB9A 2195/4885

“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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