SCHEMBL24272013

SCHEMBL24272013

Cc1nc(CNC(=O)C2CC2)sc1-c1cccc(-c2cc(O)c(C(=O)O)cc2F)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BPGM P07738 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.35
▸ RORC P51449 3/20 0.35
▸ KMT2A Q03164 5/20 0.34
▸ MAPT P10636 2/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ XDH P47989 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL24272000 0.87 BPGM (0.50) BPGMRORCKMT2AMAPTMEN1
SCHEMBL24272005 0.86 BPGM (0.52) BPGMKDM4EKMT2AMEN1TSHR
SCHEMBL24271935 0.86 BPGM (0.42) BPGMKDM4ERORCKMT2AMEN1
SCHEMBL24271798 0.83 BPGM (0.49) BPGMKDM4EKMT2AMEN1NPC1
SCHEMBL24272111 0.83 BPGM (0.49) BPGMKDM4EKMT2AMEN1NPC1
SCHEMBL24271947 0.82 BPGM (0.38) BPGMRORCKMT2AMEN1NPC1
SCHEMBL24272012 0.82 BPGM (0.39) BPGMKDM4EKMT2AMEN1TSHR
SCHEMBL24271839 0.82 BPGM (0.49) BPGMKDM4EKMT2AMEN1NPC1
SCHEMBL24272093 0.82 GPR52 (0.43) BPGMRORC
SCHEMBL24271836 0.79 MEN1 (0.47) BPGMKDM4ERORCKMT2AMAPT

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 1/4885KDM4E 3317/4885RORC 2412/4885

“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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