SCHEMBL24272015

SCHEMBL24272015

O=C(O)c1ccc(-c2nc(-c3ccnc(COc4ncccn4)c3)cs2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.57
▸ NPC1 O15118 7/20 0.57
▸ RAB9A P51151 7/20 0.57
▸ SMN1; SMN2 Q16637 6/20 0.57
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ ALDH1A1 P00352 2/20 0.53
▸ SREBF2 Q12772 7/20 0.49
▸ PTPRF P10586 1/20 0.49
▸ PTPN2 P17706 1/20 0.49
▸ PTPN1 P18031 1/20 0.49
▸ CRHBP P24387 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47
▸ CYP19A1 P11511 3/20 0.46
▸ SREBF1 P36956 1/20 0.44
▸ MAPT P10636 1/20 0.44

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
SCHEMBL24272018 0.84 KDM4E (0.62) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL19887431 0.76 SREBF2 (0.74) KDM4EALDH1A1SREBF2SREBF1MAPT
SCHEMBL24271767 0.75 BPGM (0.53) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7221293 0.74 KDM4E (1.00) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7507983 0.74 KDM4E (1.00) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL17336695 0.74 SMN1; SMN2 (0.81) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7215393 0.74 NPC1 (0.72) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL14157032 0.74 KDM4E (0.68) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL3199872 0.73 RXRA (0.65) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL14157036 0.73 KDM4E (0.80) KDM4ENPC1RAB9ASMN1; SMN2MEN1

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 KDM4E 3317/4885NPC1 3720/4885RAB9A 1778/4885

“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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