SCHEMBL24272111

SCHEMBL24272111

Cc1nc(CNC(=O)C2CCCC2)sc1-c1csc(-c2cc(O)c(C(=O)O)cc2F)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BPGM P07738 2/20 0.49
▸ KDM4E B2RXH2 4/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ XDH P47989 1/20 0.38
▸ HPGD P15428 2/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ TYR P14679 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ PI4KB Q9UBF8 2/20 0.33
▸ ERCC1 P07992 1/20 0.33
▸ ERCC4 Q92889 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ ACKR3 P25106 1/20 0.33
▸ GFER P55789 1/20 0.32
▸ HSD17B10 Q99714 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
SCHEMBL24271798 0.98 BPGM (0.49) BPGMKDM4ENPC1RAB9AMEN1
SCHEMBL24272005 0.97 BPGM (0.52) BPGMKDM4ENPC1RAB9AMEN1
SCHEMBL24271839 0.94 BPGM (0.49) BPGMKDM4ENPC1RAB9AMEN1
SCHEMBL24271835 0.92 BPGM (0.46) BPGMKDM4ENPC1RAB9AMEN1
SCHEMBL24271863 0.89 BPGM (0.45) BPGMKDM4EMEN1KMT2AGAA
SCHEMBL24272008 0.89 BPGM (0.55) BPGMKDM4EMEN1KMT2AGAA
SCHEMBL24271896 0.87 BPGM (0.46) BPGMMEN1KMT2AGAAXDH
SCHEMBL24272059 0.87 BPGM (0.54) BPGMNPC1RAB9AMEN1KMT2A
SCHEMBL24272092 0.86 BPGM (0.46) BPGMKDM4EMEN1KMT2AGAA
SCHEMBL26750605 0.86 BPGM (0.54) BPGMNPC1RAB9AMEN1KMT2A

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 1/4885KDM4E 3317/4885NPC1 3720/4885

“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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