SCHEMBL24271834

SCHEMBL24271834

COC(=O)c1ccc(-c2cccc(-c3sc(CN)nc3C)n2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR52 Q9Y2T5 6/20 0.49
▸ DHODH Q02127 1/20 0.41
▸ CD274 Q9NZQ7 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ BPGM P07738 1/20 0.38
▸ ROCK2 O75116 3/20 0.38
▸ ROCK1 Q13464 3/20 0.38
▸ CHEK1 O14757 1/20 0.37

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
SCHEMBL24271883 0.87 GPR52 (0.45) GPR52DHODHNPC1RAB9ASMN1; SMN2
SCHEMBL24271887 0.85 GPR52 (0.45) GPR52DHODHNPC1RAB9ASMN1; SMN2
SCHEMBL24271979 0.79 MEN1 (0.41) GPR52
SCHEMBL30634057 0.75 ALDH1A1 (0.42) GPR52NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL24271773 0.72 BPGM (0.47) GPR52SMN1; SMN2MAPTBPGM
SCHEMBL24272068 0.71 BPGM (0.44) GPR52BPGM
SCHEMBL24271786 0.69 BPGM (0.58) GPR52NPC1MAPTBPGMROCK2
SCHEMBL5929024 0.68 AXL (0.57) DHODHNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8200617 0.68 CHEK1 (0.59) DHODHMAPTL3MBTL1CHEK1
SCHEMBL24272071 0.67 BPGM (0.56) GPR52MAPTBPGMROCK2ROCK1

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 2667/4885DHODH 144/4885CD274 3964/4885

“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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