SCHEMBL24271963

SCHEMBL24271963

COC(=O)NCc1nc(C)c(-c2ccnc(-c3cc(O)c(C(=O)O)cc3F)n2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BPGM P07738 4/20 0.49
▸ PDPK1 O15530 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ XDH P47989 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ AAK1 Q2M2I8 1/20 0.33
▸ KDM1A O60341 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ RORC P51449 1/20 0.32
▸ CDK4 P11802 4/20 0.31
▸ CDK2 P24941 4/20 0.31
▸ AURKB Q96GD4 2/20 0.31
▸ AKR1B1 P15121 1/20 0.31
▸ AURKA O14965 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CDK7 P50613 1/20 0.31
▸ CDK9 P50750 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
SCHEMBL24272000 0.88 BPGM (0.50) BPGMPDPK1MEN1KMT2AGAA
SCHEMBL24272079 0.85 BPGM (0.43) BPGMMEN1KMT2AGAAXDH
SCHEMBL24272084 0.84 BPGM (0.50) BPGMPDPK1MEN1KMT2AGAA
SCHEMBL24271879 0.84 BPGM (0.66) BPGMMEN1KMT2AGAAXDH
SCHEMBL24272072 0.81 BPGM (0.47) BPGMNPC1RAB9ARORC
SCHEMBL24272083 0.80 BPGM (0.49) BPGMMEN1KMT2AGAAXDH
SCHEMBL24272103 0.77 BPGM (0.57) BPGMMEN1KMT2AGAAXDH
SCHEMBL24271943 0.76 BPGM (0.60) BPGMMEN1KMT2AGAAXDH
SCHEMBL24271935 0.76 BPGM (0.42) BPGMPDPK1MEN1KMT2AGAA
SCHEMBL24272008 0.76 BPGM (0.55) 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 1/4885PDPK1 893/4885MEN1 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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