SCHEMBL24271936

SCHEMBL24271936

Cc1nc(COc2ncccn2)sc1-c1cccc(-c2ccc(C(=O)O)c(F)c2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BPGM P07738 5/20 0.55
▸ GPR52 Q9Y2T5 7/20 0.45
▸ RARA P10276 1/20 0.40
▸ RARB P10826 1/20 0.40
▸ RARG P13631 1/20 0.40
▸ PIK3CA P42336 3/20 0.40
▸ PPARD Q03181 2/20 0.39
▸ KMO O15229 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ CDC7 O00311 1/20 0.37
▸ PLK4 O00444 1/20 0.37
▸ DYRK3 O43781 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ ROS1 P08922 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PRKACA P17612 1/20 0.37
▸ RPS6KB1 P23443 1/20 0.37
▸ MARK3 P27448 1/20 0.37
▸ MAPK1 P28482 1/20 0.37

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
SCHEMBL24271786 0.91 BPGM (0.58) BPGMGPR52PIK3CAPPARDKDM4E
SCHEMBL24272071 0.89 BPGM (0.56) BPGMGPR52PIK3CAPPARDKDM4E
SCHEMBL24272266 0.88 BPGM (0.53) BPGMGPR52PIK3CAPPARDKDM4E
SCHEMBL24271808 0.86 BPGM (0.53) BPGMGPR52PIK3CAPPARDKDM4E
SCHEMBL24271848 0.84 BPGM (0.55) BPGMPPARDROCK2PRKACAROCK1
SCHEMBL24271932 0.84 BPGM (0.63) BPGMGPR52RARARARBRARG
SCHEMBL24271927 0.83 BPGM (0.52) BPGMGPR52PPARDKDM4ECDC7
SCHEMBL24271803 0.82 BPGM (0.57) BPGMGPR52PIK3CAPPARDKMO
SCHEMBL24348969 0.82 BPGM (0.54) BPGMGPR52PIK3CAPPARDKDM4E
SCHEMBL24271922 0.81 BPGM (0.57) BPGMGPR52PIK3CAPPARDKMO

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 1/4885GPR52 2667/4885RARA 834/4885

“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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