SCHEMBL24272002

SCHEMBL24272002

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BPGM P07738 2/20 0.51
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ XDH P47989 1/20 0.40
▸ EIF4E P06730 4/20 0.35
▸ HPGD P15428 1/20 0.35
▸ PIK3CD O00329 2/20 0.34
▸ PIK3CA P42336 2/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ PTGES O14684 3/20 0.33
▸ HPGDS O60760 1/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL24272008 0.92 BPGM (0.55) BPGMMEN1KMT2AGAAXDH
SCHEMBL24271851 0.90 BPGM (0.47) BPGMMEN1KMT2AGAAXDH
SCHEMBL24272059 0.90 BPGM (0.54) BPGMMEN1KMT2AGAAXDH
SCHEMBL26750614 0.90 BPGM (0.56) BPGMMEN1KMT2AGAAXDH
SCHEMBL24271894 0.89 BPGM (0.49) BPGMMEN1KMT2AGAAXDH
SCHEMBL24271879 0.88 BPGM (0.66) BPGMMEN1KMT2AGAAXDH
SCHEMBL24271860 0.88 BPGM (0.51) BPGMMEN1KMT2AGAAXDH
SCHEMBL24272105 0.88 BPGM (0.51) BPGMMEN1KMT2AGAAXDH
SCHEMBL24272051 0.88 BPGM (0.51) BPGMMEN1KMT2AGAAXDH
SCHEMBL24272103 0.87 BPGM (0.57) BPGMMEN1KMT2AGAAXDH

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 1/4885MEN1 3174/4885KMT2A 2181/4885

“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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