SCHEMBL24272018

SCHEMBL24272018

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

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.62
▸ NPC1 O15118 6/20 0.62
▸ RAB9A P51151 6/20 0.62
▸ MEN1 O00255 3/20 0.62
▸ KMT2A Q03164 3/20 0.62
▸ SMN1; SMN2 Q16637 5/20 0.61
▸ ALDH1A1 P00352 3/20 0.56
▸ CRHBP P24387 1/20 0.52
▸ CRHR2 Q13324 1/20 0.52
▸ SREBF2 Q12772 9/20 0.49
▸ PTPRF P10586 1/20 0.49
▸ PTPN2 P17706 1/20 0.49
▸ PTPN1 P18031 1/20 0.49
▸ SREBF1 P36956 1/20 0.49
▸ RARA P10276 1/20 0.47
▸ RARB P10826 1/20 0.47
▸ RARG P13631 1/20 0.47

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
SCHEMBL24272015 0.84 KDM4E (0.57) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL19887431 0.82 SREBF2 (0.74) KDM4EALDH1A1SREBF2SREBF1
SCHEMBL15349193 0.80 KDM4E (0.59) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL7215690 0.78 KDM4E (0.80) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL7220939 0.78 KDM4E (0.80) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL7507983 0.77 KDM4E (1.00) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL7221293 0.77 KDM4E (1.00) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL7221281 0.76 KDM4E (0.68) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL17336695 0.76 SMN1; SMN2 (0.81) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL14157036 0.76 KDM4E (0.80) KDM4ENPC1RAB9AMEN1KMT2A

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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