SCHEMBL24272103

SCHEMBL24272103

CCOC(=O)NCc1nc(C)c(-c2csc(-c3cc(O)c(C(=O)O)cc3F)n2)s1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BPGM P07738 3/20 0.57
▸ MAPT P10636 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ XDH P47989 1/20 0.39
▸ GFER P55789 1/20 0.33
▸ EIF4E P06730 7/20 0.33
▸ HPGDS O60760 1/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ TRPV4 Q9HBA0 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CA P42336 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
SCHEMBL24271879 0.93 BPGM (0.66) BPGMMAPTNPC1RAB9AMEN1
SCHEMBL24271924 0.92 BPGM (0.54) BPGMMAPTNPC1RAB9AMEN1
SCHEMBL24272008 0.91 BPGM (0.55) BPGMMAPTMEN1KMT2AGAA
SCHEMBL26750614 0.90 BPGM (0.56) BPGMMAPTNPC1RAB9AMEN1
SCHEMBL24271951 0.90 BPGM (0.53) BPGMMAPTNPC1RAB9AMEN1
SCHEMBL26750605 0.90 BPGM (0.54) BPGMMAPTNPC1RAB9AMEN1
SCHEMBL24272059 0.89 BPGM (0.54) BPGMNPC1RAB9AMEN1KMT2A
SCHEMBL24272046 0.88 BPGM (0.55) BPGMMAPTNPC1RAB9AMEN1
SCHEMBL24271860 0.87 BPGM (0.51) BPGMMAPTMEN1KMT2AGAA
SCHEMBL24272105 0.87 BPGM (0.51) BPGMMAPTMEN1KMT2AGAA

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 1/4885MAPT 1660/4885NPC1 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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