SCHEMBL24271811

SCHEMBL24271811

Cc1nc(COc2ncccn2)sc1-c1cccc(-c2csc(C(=O)O)c2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BPGM P07738 5/20 0.55
▸ LDHA P00338 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ PRKACA P17612 2/20 0.38
▸ ROCK1 Q13464 2/20 0.38
▸ CDC7 O00311 1/20 0.38
▸ PLK4 O00444 1/20 0.38
▸ DYRK3 O43781 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ ROS1 P08922 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RPS6KB1 P23443 1/20 0.38
▸ MARK3 P27448 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ AKT1 P31749 1/20 0.38
▸ MAPK9 P45984 1/20 0.38
▸ CSNK1A1 P48729 1/20 0.38
▸ CSNK1D P48730 1/20 0.38
▸ CLK2 P49760 1/20 0.38

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
SCHEMBL24271932 0.83 BPGM (0.63) BPGMKDM4EPRKACAROCK1CDC7
SCHEMBL26750493 0.83 BPGM (0.53) BPGMKDM4EPRKACAROCK1CDC7
SCHEMBL24271786 0.83 BPGM (0.58) BPGMKDM4EPRKACAROCK1CDC7
SCHEMBL24271922 0.82 BPGM (0.57) BPGMKDM4EPRKACAROCK1CDC7
SCHEMBL26633668 0.82 BPGM (0.50) BPGMKDM4EPRKACAROCK1CDC7
SCHEMBL24271803 0.82 BPGM (0.57) BPGMKDM4EPRKACAROCK1CDC7
SCHEMBL24271939 0.82 BPGM (0.52) BPGMKDM4EPRKACAROCK1CDC7
SCHEMBL24272071 0.81 BPGM (0.56) BPGMLDHAKDM4EPRKACAROCK1
SCHEMBL24271936 0.80 BPGM (0.55) BPGMKDM4EPRKACAROCK1CDC7
SCHEMBL24271808 0.80 BPGM (0.53) BPGMKDM4EPRKACAROCK1CDC7

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 1/4885LDHA 61/4885KDM4E 3317/4885

“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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