SCHEMBL16936385

SCHEMBL16936385

COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2cccc(-c3ccc(Br)nc3)c2-c2nnnn2Cc2ccc(OC)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
MMP8 P22894 2/20 0.38
MMP13 P45452 2/20 0.38
TAS2R14 Q9NYV8 4/20 0.37
AVPR2 P30518 2/20 0.37
OXTR P30559 2/20 0.37
AVPR1A P37288 2/20 0.37
CXCR3 P49682 1/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGS2 P35354 1/20 0.36
HSD11B1 P28845 1/20 0.35
APLNR P35414 1/20 0.35
MAPK1 P28482 1/20 0.35
PTGES O14684 1/20 0.35
TAS2R8 Q9NYW2 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
SCHEMBL16936276 0.91 FEN1 (0.39) ERCC5FEN1TAS2R14AVPR2OXTR
SCHEMBL16947853 0.89 ERCC5 (0.42) ERCC5FEN1PTGS2HSD11B1
SCHEMBL16936803 0.86 LMNA (0.37) ERCC5FEN1L3MBTL1TAS2R14CXCR3
SCHEMBL16936542 0.86 ERCC5 (0.39) ERCC5FEN1L3MBTL1TAS2R14CXCR3
SCHEMBL16936767 0.85 L3MBTL1 (0.48) ERCC5FEN1L3MBTL1TAS2R14CXCR3
SCHEMBL16936580 0.85 PTGS2 (0.37) ERCC5FEN1L3MBTL1TAS2R14CXCR3
SCHEMBL16936383 0.84 SMN1; SMN2 (0.37) ERCC5FEN1L3MBTL1TAS2R14LMNA
SCHEMBL16936692 0.84 NPC1 (0.45) L3MBTL1
SCHEMBL16936466 0.84 LCK (0.35) ERCC5FEN1TAS2R14CXCR3LMNA
SCHEMBL16936944 0.83 ERCC5 (0.38) ERCC5FEN1L3MBTL1TAS2R14LMNA

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 7 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
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
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 ERCC5 2726/4885FEN1 223/4885L3MBTL1 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.