SCHEMBL24348994

SCHEMBL24348994

Cc1nc(COc2ncccn2)sc1-c1cccc(-c2ccc3[nH]c(=O)oc3c2)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BPGM P07738 4/20 0.66
▸ PPARD Q03181 1/20 0.43
▸ PDE3B Q13370 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ PPM1D O15297 1/20 0.40
▸ CFTR P13569 1/20 0.40
▸ PTGDR Q13258 1/20 0.39
▸ SYK P43405 1/20 0.38
▸ NOS1 P29475 1/20 0.36
▸ AKT1 P31749 3/20 0.36
▸ CDC7 O00311 2/20 0.36
▸ CDK2 P24941 2/20 0.36
▸ DYRK3 O43781 2/20 0.36
▸ ROCK2 O75116 2/20 0.36
▸ MAP4K4 O95819 2/20 0.36
▸ PRKACA P17612 2/20 0.36
▸ RPS6KB1 P23443 2/20 0.36
▸ CSNK1D P48730 2/20 0.36
▸ CLK2 P49760 2/20 0.36
▸ IRAK1 P51617 2/20 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
SCHEMBL24348919 0.93 BPGM (0.66) BPGMPPARDPDE3BPDE3APPM1D
SCHEMBL24348971 0.85 BPGM (0.65) BPGMPPARDPDE3BPDE3AAKT1
SCHEMBL24349244 0.81 BPGM (0.68) BPGMAKT1CDC7DYRK3ROCK2
SCHEMBL24349266 0.79 BPGM (1.00) BPGMAKT1CDC7DYRK3ROCK2
SCHEMBL24348973 0.79 BPGM (0.62) BPGMPPARDAKT1CDC7CDK2
SCHEMBL24348967 0.77 BPGM (0.57) BPGMPPARDAKT1CDC7CDK2
SCHEMBL24271786 0.76 BPGM (0.58) BPGMPPARDAKT1CDC7DYRK3
SCHEMBL24271803 0.75 BPGM (0.57) BPGMPPARDAKT1CDC7CDK2
SCHEMBL24272071 0.74 BPGM (0.56) BPGMPPARDAKT1CDC7DYRK3
SCHEMBL24271932 0.74 BPGM (0.63) BPGMPPARDAKT1CDC7DYRK3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348454-A1 COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 — — US disclosed
WO-2022056449-A1 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-20230348454-A1 COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE BPGM, PGAM1, HBG1 BPGM 1/4885PPARD 1757/4885PDE3B 849/4885

“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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