SCHEMBL20480489

SCHEMBL20480489

CC(C)(C)N(CCNc1cc(B2OC(C)(C)C(C)(C)O2)ccc1N)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 5/20 0.40
F11 P03951 3/20 0.36
F2 P00734 2/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
DGAT1 O75907 1/20 0.35
LIPG Q9Y5X9 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
AAK1 Q2M2I8 2/20 0.34
ROCK1 Q13464 1/20 0.34
CA12 O43570 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 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
SCHEMBL18342274 0.85 HIF1A (0.37) HIF1AAAK1
SCHEMBL18342276 0.85 HIF1A (0.37) HIF1AAAK1
SCHEMBL18342361 0.79 HIF1A (0.43) HIF1AF11F2PRSS1PRSS2
SCHEMBL21464697 0.76 DGAT1 (0.42) HIF1AF11F2PRSS1PRSS2
SCHEMBL20480490 0.76 PRMT5 (0.51) HIF1ADGAT1PRMT5WDR77CA1
SCHEMBL18342446 0.75 HIF1A (0.42) HIF1AF11F2PRSS1PRSS2
SCHEMBL3412319 0.75 CA1 (0.43) F11F2PRSS1PRSS2PRSS3
SCHEMBL445840 0.75 CA1 (0.42) F11F2PRSS1PRSS2PRSS3
SCHEMBL2595120 0.74 LIPG (0.52) F11F2PRSS1PRSS2PRSS3
SCHEMBL18497287 0.71 AAK1 (0.40) HIF1AF11F2PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 HIF1A 3921/4885F11 474/4885F2 2070/4885
US-10221163-B2 Metallo-beta-lactamase inhibitors MLX, ZFX, MMP12 HIF1A 3915/4885F11 421/4885F2 1949/4885
US-20190144432-A1 METALLO-BETA-LACTAMASE INHIBITORS MLX, ZFX, MMP12 HIF1A 3921/4885F11 474/4885F2 2070/4885
US-20180244656-A1 METALLO-BETA-LACTAMASE INHIBITORS MLX, ZFX, MMP12 HIF1A 3915/4885F11 421/4885F2 1949/4885

“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.