SCHEMBL16936588

SCHEMBL16936588

Cc1cc(-c2nnn[nH]2)sc1-c1nnn[nH]1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
HSD17B1 P14061 1/20 0.30
HSD17B2 P37059 1/20 0.30

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
SCHEMBL12917978 0.81
SCHEMBL22846838 0.81
SCHEMBL22846607 0.81
SCHEMBL22846842 0.81
SCHEMBL22846085 0.78
SCHEMBL22846587 0.77 COMT (0.31)
SCHEMBL22846588 0.77
SCHEMBL12496718 0.76 GAA (0.36)
SCHEMBL12496473 0.75 MAPT (0.37) ESR1ESR2HSD17B1HSD17B2
SCHEMBL12496429 0.73 NOTUM (0.36) ESR1ESR2

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3654968-B1 METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2023-08-16 EP disclosed
EP-3313828-B1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-07-12 EP disclosed
US-11207312-B2 Metallo-beta-lactamase inhibitors and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2021-12-28 US disclosed
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-20200375987-A1 METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. (US) 2020-12-03 US disclosed
EP-3735242-A1 METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF Merck Sharp&Dohme Corp. (US) 2020-11-11 EP disclosed
EP-3654968-A1 METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF Merck Sharp & Dohme Corp. (US) 2020-05-27 EP disclosed
US-10544130-B2 Metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-01-28 US disclosed
WO-2019135920-A1 METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. (US) 2019-07-11 WO disclosed
US-9839642-B2 Beta-tetrazolyl-propionic acids as metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-12-12 US disclosed
US-9708336-B2 Metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-07-18 US disclosed
US-20170173035-A1 BETA-TETRAZOLYL-PROPIONIC ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-06-22 US disclosed
EP-3139918-A1 BETA-TETRAZOLYL-PROPIONIC ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-03-15 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
WO-2016210234-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-29 WO disclosed
EP-3096754-A1 METALLO-BETA-LACTAMASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-11-30 EP disclosed
US-20160333021-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-11-17 US disclosed
WO-2015171474-A1 BETA-TETRAZOLYL-PROPIONIC ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-11-12 WO disclosed
WO-2015112441-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-07-30 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 (5 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 ESR1 2852/4885ESR2 3568/4885HSD17B1 227/4885
US-20170173035-A1 BETA-TETRAZOLYL-PROPIONIC ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS MGAM, CMBL, PEPD ESR1 3971/4885ESR2 2881/4885HSD17B1 335/4885
US-20200375987-A1 METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF SLC11A2, MMP12, LCT ESR1 3726/4885ESR2 3730/4885HSD17B1 180/4885
US-11207312-B2 Metallo-beta-lactamase inhibitors and methods of use thereof MLX, MMP12, SLC11A2 ESR1 2830/4885ESR2 3358/4885HSD17B1 220/4885
US-20160333021-A1 METALLO-BETA-LACTAMASE INHIBITORS MGAM, MGAM2, GAA ESR1 2730/4885ESR2 1934/4885HSD17B1 287/4885

“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.