SCHEMBL24271780

SCHEMBL24271780

Cc1nc(Cn2cc(C(F)(F)F)cn2)sc1-c1cccc(-c2ccc(C(=O)O)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GPR52 Q9Y2T5 10/20 0.44
▸ RARA P10276 1/20 0.38
▸ RARB P10826 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RARG P13631 1/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ KLKB1 P03952 1/20 0.37
▸ BPGM P07738 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MMP13 P45452 1/20 0.35

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
SCHEMBL24272263 0.81 MRGPRX4 (0.53) GPR52BPGM
SCHEMBL24272024 0.80 BPGM (0.50) GPR52RARARARBALDH1A1KDM4E
SCHEMBL24272260 0.75 BPGM (0.43) GPR52RARARARBALDH1A1KDM4E
SCHEMBL24271765 0.75 MRGPRX4 (0.53) GPR52RARARARBBPGM
SCHEMBL24271778 0.75 BPGM (0.42) GPR52RARARARBKDM4ERARG
SCHEMBL24271779 0.73 RARA (0.42) GPR52RARARARBKDM4EMEN1
SCHEMBL24271932 0.72 BPGM (0.63) GPR52RARARARBKDM4EMEN1
SCHEMBL24272267 0.72 BPGM (0.51) RARARARBALDH1A1KDM4EMEN1
SCHEMBL1199084 0.72 EGLN1 (0.46) GPR52RARARARBALDH1A1KDM4E
SCHEMBL24271781 0.71 BPGM (0.46) GPR52RARARARBALDH1A1KDM4E

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 GPR52 2667/4885RARA 834/4885RARB 495/4885

“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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