SCHEMBL24272263

SCHEMBL24272263

Cc1nc(COc2ccc(C(F)(F)F)cn2)sc1-c1cccc(-c2ccc(C(=O)O)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 1/20 0.53
▸ GPR52 Q9Y2T5 3/20 0.45
▸ BPGM P07738 1/20 0.43
▸ PPARD Q03181 5/20 0.42
▸ SCN9A Q15858 6/20 0.42
▸ GABRA5 P31644 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HCRTR1 O43613 1/20 0.39
▸ HCRTR2 O43614 1/20 0.39

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
SCHEMBL24272024 0.89 BPGM (0.50) MRGPRX4GPR52BPGMPPARD
SCHEMBL24272260 0.85 BPGM (0.43) MRGPRX4GPR52BPGMPPARD
SCHEMBL24272267 0.83 BPGM (0.51) BPGMPPARDGABRA5
SCHEMBL24271765 0.82 MRGPRX4 (0.53) MRGPRX4GPR52BPGMPPARDSCN9A
SCHEMBL24271780 0.81 GPR52 (0.44) GPR52BPGM
SCHEMBL24271932 0.80 BPGM (0.63) GPR52BPGMPPARD
SCHEMBL24271784 0.78 ALDH1A1 (0.42) GPR52BPGMPPARD
SCHEMBL24271783 0.76 BPGM (0.45) GPR52BPGMPPARD
SCHEMBL24271778 0.76 BPGM (0.42) GPR52BPGMPPARD
SCHEMBL24271774 0.75 BPGM (0.41) GPR52BPGMPPARDGABRA5

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 MRGPRX4 2649/4885GPR52 2667/4885BPGM 1/4885

“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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