SCHEMBL16936692

SCHEMBL16936692

COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2cccc(-c3ccc(Br)nc3)c2-c2nnn(Cc3ccc(OC)cc3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RET P07949 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
SCHEMBL16936650 0.91 NPC1 (0.44) NPC1RAB9AL3MBTL1RET
SCHEMBL16936571 0.87 RET (0.43) RET
SCHEMBL16936232 0.86 RET (0.41) NPC1RAB9AL3MBTL1RET
SCHEMBL18226596 0.86 RET (0.45) NPC1RAB9AL3MBTL1RET
SCHEMBL16936454 0.86 L3MBTL1 (0.48) NPC1RAB9AL3MBTL1RET
SCHEMBL16936652 0.84 RET (0.42) NPC1RAB9AL3MBTL1RET
SCHEMBL16936385 0.84 ERCC5 (0.39) L3MBTL1
SCHEMBL18226782 0.84 RET (0.43) NPC1RAB9AL3MBTL1RET
SCHEMBL16936387 0.83 NPC1 (0.40) NPC1RAB9AL3MBTL1RET
SCHEMBL18226477 0.83 RET (0.44) RET

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-3096754-B1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME (US) 2018-08-29 EP disclosed
US-9708336-B2 Metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-07-18 US 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-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 (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-20160333021-A1 METALLO-BETA-LACTAMASE INHIBITORS MGAM, MGAM2, GAA NPC1 1641/4885RAB9A 1437/4885L3MBTL1 1082/4885

“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.