SCHEMBL24272004

SCHEMBL24272004

COC(=O)NCc1nc(C)c(-c2csc(-c3ccc(C(=O)O)cc3)n2)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BPGM P07738 1/20 0.57
▸ RAB9A P51151 8/20 0.52
▸ KDM4E B2RXH2 8/20 0.52
▸ NPC1 O15118 7/20 0.52
▸ SMN1; SMN2 Q16637 6/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ RARA P10276 1/20 0.43
▸ RARB P10826 1/20 0.43
▸ RARG P13631 1/20 0.43
▸ EIF4E P06730 4/20 0.43
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ GAA P10253 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ HTT P42858 1/20 0.41

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
SCHEMBL24348920 0.87 BPGM (0.52) BPGMRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL24272009 0.85 BPGM (0.64) BPGMRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL24271792 0.85 BPGM (0.57) BPGMMEN1KMT2AEIF4EGAA
SCHEMBL26704243 0.85 BPGM (0.49) BPGMRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL24271810 0.83 BPGM (0.64) BPGMRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL24348539 0.83 BPGM (0.54) BPGMRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL24348946 0.82 BPGM (0.60) BPGMRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL24348538 0.82 BPGM (0.65) BPGMRAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL24272048 0.82 BPGM (0.57) BPGMRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL24348944 0.81 BPGM (0.68) BPGMRAB9ANPC1ALDH1A1MEN1

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-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 1/4885RAB9A 1778/4885KDM4E 3317/4885

“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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