SCHEMBL16936627

SCHEMBL16936627

COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2-c2nnnn2Cc2ccc(OC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.43
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TAS2R14 Q9NYV8 7/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
APLNR P35414 1/20 0.35
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35
MAPK1 P28482 1/20 0.34
CXCR3 P49682 2/20 0.34
PTGES O14684 1/20 0.34
TAS2R8 Q9NYW2 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL16936243 0.91 SMN1; SMN2 (0.36) UCHL1LMNASMN1; SMN2TAS2R14L3MBTL1
SCHEMBL16936943 0.83 RET (0.45) L3MBTL1
SCHEMBL16936767 0.83 L3MBTL1 (0.48) LMNASMN1; SMN2TAS2R14L3MBTL1MAPT
SCHEMBL16947771 0.82 ALDH1A1 (0.37) UCHL1LMNASMN1; SMN2MAPTCNR1
SCHEMBL16936411 0.81 TAS2R14 (0.40) LMNASMN1; SMN2TAS2R14L3MBTL1MAPT
SCHEMBL16937023 0.80 TAS2R14 (0.38) LMNASMN1; SMN2TAS2R14L3MBTL1MAPT
SCHEMBL16936385 0.78 ERCC5 (0.39) LMNASMN1; SMN2TAS2R14L3MBTL1APLNR
SCHEMBL16936276 0.78 FEN1 (0.39) LMNASMN1; SMN2TAS2R14APLNRERCC5
SCHEMBL16936383 0.77 SMN1; SMN2 (0.37) LMNASMN1; SMN2TAS2R14L3MBTL1MAPT
SCHEMBL16936651 0.77 LMNA (0.35) LMNASMN1; SMN2TAS2R14L3MBTL1MAPT

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 UCHL1 216/4885LMNA 1585/4885SMN1; SMN2 3619/4885

“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.