SCHEMBL16936767

SCHEMBL16936767

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

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.48
TAS2R14 Q9NYV8 4/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
APLNR P35414 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
PTGS2 P35354 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38
CXCR3 P49682 2/20 0.38
PTGES O14684 1/20 0.38
TAS2R8 Q9NYW2 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL16936260 0.88 PTGS2 (0.43) L3MBTL1LMNAPKMPTGS2ALDH1A1
SCHEMBL16936411 0.87 TAS2R14 (0.40) L3MBTL1TAS2R14LMNASMN1; SMN2APLNR
SCHEMBL16936385 0.85 ERCC5 (0.39) L3MBTL1TAS2R14LMNASMN1; SMN2APLNR
SCHEMBL16937023 0.84 TAS2R14 (0.38) L3MBTL1TAS2R14LMNASMN1; SMN2APLNR
SCHEMBL16936270 0.83 L3MBTL1 (0.37) L3MBTL1TAS2R14LMNASMN1; SMN2APLNR
SCHEMBL16936627 0.83 UCHL1 (0.43) L3MBTL1TAS2R14LMNASMN1; SMN2APLNR
SCHEMBL20315214 0.83 LMNA (0.43) L3MBTL1TAS2R14LMNASMN1; SMN2APLNR
SCHEMBL16936383 0.82 SMN1; SMN2 (0.37) L3MBTL1TAS2R14LMNASMN1; SMN2APLNR
SCHEMBL16936721 0.81 RET (0.41) LMNASMN1; SMN2
SCHEMBL30489532 0.81 RET (0.41) LMNASMN1; SMN2

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
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
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 L3MBTL1 1082/4885TAS2R14 4657/4885LMNA 1585/4885

“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.