SCHEMBL18342440

SCHEMBL18342440

CC(=O)Nc1ncccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ LIPE Q05469 6/20 0.38
▸ CXCR2 P25025 2/20 0.36
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ S100A4 P26447 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ PPIA P62937 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35

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
SCHEMBL12077065 0.89 RAB9A (0.40) KMT2ALIPECXCR2ALDH1A1KDM4E
SCHEMBL2096775 0.85 L3MBTL1 (0.43) LIPECXCR2ALDH1A1KDM4ENPC1
SCHEMBL613746 0.82 AAK1 (0.41) LIPE
SCHEMBL16967950 0.80 LPL (0.35) LIPECXCR2KDM4ENPC1RAB9A
SCHEMBL1797092 0.77 LIPE (0.49) LIPETSHRALDH1A1KDM4EHPGD
SCHEMBL29895467 0.77 LIPE (0.49) LIPETSHRALDH1A1KDM4EHPGD
SCHEMBL31441746 0.77 LRRK2 (0.33) LIPEALDH1A1KDM4EHPGD
SCHEMBL22574535 0.77 LPL (0.37) LIPECXCR2ALDH1A1KDM4EHPGD
SCHEMBL22585908 0.75 DHODH (0.44) MEN1KMT2AALDH1A1NPC1HTT
SCHEMBL31432447 0.75 KDM4E (0.46) LIPETSHRALDH1A1KDM4ENPC1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922394-B 3-tetrazolyl-benzene-1, 2-disulfonamide derivatives as metallo-beta-lactamase inhibitors 默沙东公司 2021-07-13 — — CN disclosed
EP-3313832-B1 3-TETRAZOLYL-BENZENE-1,2-DISULFONAMIDE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME (US) 2021-02-24 — — EP disclosed
US-10544130-B2 Metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-01-28 — — US disclosed
US-20190144432-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-05-16 — — US disclosed
US-10221163-B2 Metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2019-03-05 — — US disclosed
US-20180244656-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-08-30 — — US disclosed
EP-3313832-A1 3-TETRAZOLYL-BENZENE-1,2-DISULFONAMIDE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-05-02 — — EP disclosed
WO-2016210215-A1 3-TETRAZOLYL-BENZENE-1,2-DISULFONAMIDE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-29 — — 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 (4 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-10544130-B2 Metallo-beta-lactamase inhibitors MLX, ZFX, MMP12 MEN1 417/4885KMT2A 1095/4885LIPE 378/4885
US-10221163-B2 Metallo-beta-lactamase inhibitors MLX, ZFX, MMP12 MEN1 433/4885KMT2A 1103/4885LIPE 369/4885
US-20190144432-A1 METALLO-BETA-LACTAMASE INHIBITORS MLX, ZFX, MMP12 MEN1 417/4885KMT2A 1095/4885LIPE 378/4885
US-20180244656-A1 METALLO-BETA-LACTAMASE INHIBITORS MLX, ZFX, MMP12 MEN1 433/4885KMT2A 1103/4885LIPE 369/4885

“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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