SCHEMBL24272012

SCHEMBL24272012

Cc1nc(CNC(=O)C2CC2)sc1-c1csc(-c2cc(O)c(C(=O)O)cc2F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BPGM P07738 1/20 0.39
▸ KDM4E B2RXH2 5/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ PKM P14618 1/20 0.35
▸ PI4KB Q9UBF8 1/20 0.33
▸ ABL1 P00519 3/20 0.32
▸ HPGD P15428 2/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ ACKR3 P25106 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ XDH P47989 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ PDK1 Q15118 1/20 0.30
▸ HPGDS O60760 1/20 0.30

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
SCHEMBL24272083 0.87 BPGM (0.49) BPGMNPC1RAB9AMEN1KMT2A
SCHEMBL24272275 0.86 BPGM (0.38) BPGMPI4KBMEN1KMT2AGAA
SCHEMBL24272005 0.85 BPGM (0.52) BPGMKDM4ENPC1RAB9APKM
SCHEMBL24271925 0.85 KDM4E (0.38) BPGMKDM4ENPC1RAB9APKM
SCHEMBL24272064 0.83 GPR52 (0.35) BPGMMEN1KMT2AGAAXDH
SCHEMBL24271798 0.82 BPGM (0.49) BPGMKDM4ENPC1RAB9APKM
SCHEMBL24272111 0.82 BPGM (0.49) BPGMKDM4ENPC1RAB9APKM
SCHEMBL24272013 0.82 BPGM (0.39) BPGMKDM4ENPC1RAB9APKM
SCHEMBL24272076 0.81 GPR52 (0.43) —
SCHEMBL24272062 0.80 MEN1 (0.44) KDM4EHPGDMEN1KMT2AGAA

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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