SCHEMBL24271848

SCHEMBL24271848

Cc1nc(COc2ncccn2)sc1-c1cccc(-c2ccc3c(C(=O)O)c[nH]c3c2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BPGM P07738 3/20 0.55
▸ PRKACA P17612 1/20 0.42
▸ PRKACG P22612 1/20 0.42
▸ PRKACB P22694 1/20 0.42
▸ ROCK1 Q13464 7/20 0.41
▸ ROCK2 O75116 6/20 0.41
▸ PRKAB2 O43741 3/20 0.40
▸ PRKAG1 P54619 3/20 0.40
▸ PRKAA2 P54646 3/20 0.40
▸ PRKAA1 Q13131 3/20 0.40
▸ PRKAG3 Q9UGI9 3/20 0.40
▸ PRKAG2 Q9UGJ0 3/20 0.40
▸ PRKAB1 Q9Y478 3/20 0.40
▸ NR1H4 Q96RI1 1/20 0.39
▸ HAT1 O14929 3/20 0.38
▸ EP300 Q09472 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MDH2 P40926 1/20 0.38
▸ SMN1; SMN2 Q16637 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
SCHEMBL24271786 0.87 BPGM (0.58) BPGMPRKACAROCK1ROCK2ALDH1A1
SCHEMBL24272071 0.85 BPGM (0.56) BPGMPRKACAROCK1ROCK2PPARD
SCHEMBL24271936 0.84 BPGM (0.55) BPGMPRKACAROCK1ROCK2PPARD
SCHEMBL24271803 0.84 BPGM (0.57) BPGMPRKACAROCK1ROCK2PPARD
SCHEMBL24272266 0.82 BPGM (0.53) BPGMPRKACAROCK1ROCK2PPARD
SCHEMBL24271808 0.82 BPGM (0.53) BPGMPRKACAROCK1ROCK2PPARD
SCHEMBL24271932 0.81 BPGM (0.63) BPGMPRKACAROCK1ROCK2PPARD
SCHEMBL24348971 0.80 BPGM (0.65) BPGMPRKACAROCK1ROCK2PPARD
SCHEMBL24271922 0.79 BPGM (0.57) BPGMPRKACAROCK1ROCK2ALDH1A1
SCHEMBL24348967 0.78 BPGM (0.57) BPGMPRKACAROCK1ROCK2PPARD

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 1/4885PRKACA 2283/4885PRKACG 1447/4885

“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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