SCHEMBL24271997

SCHEMBL24271997

Cc1nc(COc2ccccn2)sc1-c1csc(-c2ccc(C(=O)O)c(O)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PDK1 Q15118 4/20 0.36
GPR52 Q9Y2T5 4/20 0.35
BPGM P07738 1/20 0.35
HNF4A P41235 1/20 0.35
ACMSD Q8TDX5 1/20 0.35
NOX1 Q9Y5S8 1/20 0.35
NPC1 O15118 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
CSNK2A3 Q8NEV1 1/20 0.34
DHODH Q02127 1/20 0.34

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
SCHEMBL24271819 0.88 PPARD (0.38) PPARDMEN1KMT2APDK1GPR52
SCHEMBL24271917 0.87 HNF4A (0.43) PPARDPDK1GPR52BPGMHNF4A
SCHEMBL24272285 0.86 BPGM (0.40) PPARDMEN1KMT2APDK1GPR52
SCHEMBL24271847 0.85 BPGM (0.45) PPARDMEN1KMT2APDK1GPR52
SCHEMBL24272088 0.81 MEN1 (0.41) MEN1KMT2AGPR52HNF4AACMSD
SCHEMBL24348530 0.81 BPGM (0.47) PPARDGPR52BPGM
SCHEMBL24272082 0.78 BPGM (0.43) MEN1KMT2AGPR52BPGMCSNK2A2
SCHEMBL24271732 0.78 MEN1 (0.54) MEN1KMT2APDK1HNF4AACMSD
SCHEMBL24271727 0.77 PPARD (0.41) PPARDMEN1KMT2AGPR52HNF4A
SCHEMBL24272278 0.77 BPGM (0.46) PPARDPDK1GPR52BPGMHNF4A

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 PPARD 1088/4885MEN1 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.