SCHEMBL24272000

SCHEMBL24272000

COC(=O)NCc1nc(C)c(-c2cccc(-c3cc(O)c(C(=O)O)cc3F)n2)s1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BPGM P07738 4/20 0.50
▸ RORC P51449 6/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ XDH P47989 1/20 0.35
▸ PDPK1 O15530 1/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ OPRM1 P35372 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ GPR52 Q9Y2T5 2/20 0.33
▸ HPGD P15428 1/20 0.32

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
SCHEMBL24271935 0.88 BPGM (0.42) BPGMRORCMEN1KMT2AGAA
SCHEMBL24271963 0.88 BPGM (0.49) BPGMRORCMEN1KMT2AGAA
SCHEMBL24272013 0.87 BPGM (0.39) BPGMRORCMEN1KMT2AGAA
SCHEMBL24271879 0.85 BPGM (0.66) BPGMMEN1KMT2AGAAXDH
SCHEMBL24272084 0.85 BPGM (0.50) BPGMRORCMEN1KMT2AGAA
SCHEMBL24271947 0.85 BPGM (0.38) BPGMRORCMEN1KMT2AGAA
SCHEMBL24272068 0.84 BPGM (0.44) BPGMMEN1KMT2AXDHGPR52
SCHEMBL24272093 0.84 GPR52 (0.43) BPGMRORCGPR52
SCHEMBL24271927 0.83 BPGM (0.52) BPGMRORCMEN1KMT2AGAA
SCHEMBL24349277 0.82 BPGM (0.56) BPGMPDPK1RAB9ANPC1OPRM1

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-20230348450-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 — — US disclosed
US-20230348450-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 — — US disclosed
WO-2022056447-A1 CARBOXYLIC ACID-CONTAINING 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-20230348450-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE BPGM, PGAM1, PGM2 BPGM 1/4885RORC 2412/4885MEN1 3174/4885

“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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