SCHEMBL24271808

SCHEMBL24271808

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BPGM P07738 3/20 0.53
▸ XDH P47989 8/20 0.39
▸ PPARD Q03181 2/20 0.37
▸ ABCC4 O15439 1/20 0.37
▸ ABCB11 O95342 1/20 0.37
▸ PGR P06401 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ BLVRB P30043 1/20 0.37
▸ TARBP2 Q15633 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ ABCG2 Q9UNQ0 1/20 0.37
▸ GPR52 Q9Y2T5 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ CDC7 O00311 1/20 0.36
▸ PLK4 O00444 1/20 0.36
▸ DYRK3 O43781 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ ROS1 P08922 1/20 0.36

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 0.89 BPGM (0.58) BPGMPPARDGPR52KDM4ECDC7
SCHEMBL24272071 0.87 BPGM (0.56) BPGMXDHPPARDGPR52KDM4E
SCHEMBL24349241 0.87 BPGM (0.54) BPGMXDHPPARDKDM4ECDC7
SCHEMBL24271936 0.86 BPGM (0.55) BPGMPPARDGPR52KDM4ECDC7
SCHEMBL24349239 0.85 BPGM (0.54) BPGMXDHPPARDKDM4ECDC7
SCHEMBL24272266 0.84 BPGM (0.53) BPGMPPARDGPR52KDM4ECDC7
SCHEMBL24271848 0.82 BPGM (0.55) BPGMPPARDROCK2PRKACAROCK1
SCHEMBL24271932 0.81 BPGM (0.63) BPGMPPARDPDE4AGPR52KDM4E
SCHEMBL24271811 0.80 BPGM (0.55) BPGMPPARDGPR52KDM4ECDC7
SCHEMBL24271803 0.80 BPGM (0.57) BPGMPPARDGPR52KDM4ECDC7

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 1/4885XDH 532/4885PPARD 1088/4885

“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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