SCHEMBL24271925

SCHEMBL24271925

Cc1nc(CNC(=O)C2CC2)sc1-c1csc(-c2ccc(C(=O)O)c(O)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ PKM P14618 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PI4KB Q9UBF8 2/20 0.36
▸ PDK1 Q15118 1/20 0.34
▸ ACKR3 P25106 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ GPR52 Q9Y2T5 1/20 0.34
▸ HDAC1 Q13547 2/20 0.33
▸ BPGM P07738 1/20 0.33
▸ HPGDS O60760 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ SIRT5 Q9NXA8 1/20 0.33
▸ PARP1 P09874 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
SCHEMBL24272055 0.88 PI4KB (0.37) KDM4ENPC1RAB9APKMMEN1
SCHEMBL24271735 0.86 HNF4A (0.40) PI4KBGPR52HDAC1
SCHEMBL24272082 0.86 BPGM (0.43) MEN1KMT2AGPR52BPGMHPGDS
SCHEMBL24272012 0.85 BPGM (0.39) KDM4ENPC1RAB9APKMMEN1
SCHEMBL24272058 0.85 MEN1 (0.45) KDM4ENPC1RAB9APKMMEN1
SCHEMBL24272088 0.82 MEN1 (0.41) MEN1KMT2AGPR52
SCHEMBL24272057 0.79 HNF4A (0.38) GPR52
SCHEMBL24271732 0.78 MEN1 (0.54) MEN1KMT2APDK1HPGDSSIRT5
SCHEMBL24271795 0.75 GPR52 (0.36) MEN1KMT2APDK1GPR52
SCHEMBL24271733 0.73 HNF4A (0.44) GPR52

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 2 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
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 KDM4E 3317/4885NPC1 3720/4885RAB9A 1778/4885

“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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