SCHEMBL3671569

SCHEMBL3671569

CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)NC1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
HTT P42858 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 2/20 0.47
MAPK1 P28482 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
NTSR1 P30989 1/20 0.47
WNT3 P56703 1/20 0.46
SFRP1 Q8N474 1/20 0.46
STS P08842 1/20 0.46
ENPP2 Q13822 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
PARP1 P09874 1/20 0.46
GPR119 Q8TDV5 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
SCHEMBL3671572 1.00 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL10058223 0.85 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL10078806 0.85 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL15316308 0.83 HTT (0.49) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL15107116 0.83 HTT (0.49) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL28816407 0.82 STS (0.44) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL27996466 0.82 STS (0.44) SMN1; SMN2NPC1RAB9AHTTMEN1
SCHEMBL13779772 0.82 EPHX1 (0.42) SMN1; SMN2MEN1KMT2AMAPTWNT3
SCHEMBL12890921 0.81 KLK7 (0.49) PARP1
SCHEMBL951538 0.81 KMT2A (0.59) SMN1; SMN2NPC1RAB9AHTTMEN1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2666774-B1 Beta-lactamase Inhibitors MERCK SHARP & DOHME (US) 2015-01-07 EP disclosed
EP-2666774-B1 Beta-lactamase Inhibitors MERCK SHARP & DOHME (US) 2015-01-07 EP disclosed
CN-101918407-B Beta-lactamase inhibitors MERCK SHARP & DOHME 2014-02-26 CN disclosed
EP-2666774-A1 Beta-lactamase Inhibitors Merck Sharp & Dohme Corp. (US) 2013-11-27 EP disclosed
US-20130274475-A1 BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME (US) 2013-10-17 US disclosed
US-20130274475-A1 BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME (US) 2013-10-17 US disclosed
US-20130274475-A1 BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME (US) 2013-10-17 US disclosed
EP-2231667-B1 BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME (US) 2013-09-04 EP disclosed
US-8487093-B2 β-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-07-16 US disclosed
US-8487093-B2 β-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-07-16 US disclosed
US-8487093-B2 β-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-07-16 US disclosed
US-20120053350-A1 PREPARATION OF ALKYL ESTERS OF N-PROTECTED OXO-AZACYCLOALKYLCARBOXYLIC ACIDS MERCK SHARP & DOHME CORP. 2012-03-01 US disclosed
US-20120053350-A1 PREPARATION OF ALKYL ESTERS OF N-PROTECTED OXO-AZACYCLOALKYLCARBOXYLIC ACIDS MERCK SHARP & DOHME CORP. 2012-03-01 US disclosed
US-20110294777-A1 BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. 2011-12-01 US disclosed
US-20110294777-A1 BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. 2011-12-01 US disclosed
US-20110294777-A1 BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. 2011-12-01 US disclosed
CN-101918407-A Beta-lactamase inhibitors MERCK & CO INC 2010-12-15 CN disclosed
EP-2231667-A2 BETA-LACTAMASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2010-09-29 EP disclosed
WO-2009091856-A2 BETA-LACTAMASE INHIBITORS MERCK & CO., INC. (US) 2009-07-23 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 (3 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-20110294777-A1 BETA-LACTAMASE INHIBITORS MGAM, RPIA, LBR SMN1; SMN2 3056/4885NPC1 2474/4885RAB9A 972/4885
US-20120053350-A1 PREPARATION OF ALKYL ESTERS OF N-PROTECTED OXO-AZACYCLOALKYLCARBOXYLIC ACIDS SULT1A1, SULT1E1, PGD SMN1; SMN2 3145/4885NPC1 3829/4885RAB9A 3451/4885
US-20130274475-A1 BETA-LACTAMASE INHIBITORS MGAM, RPIA, XDH SMN1; SMN2 3308/4885NPC1 2510/4885RAB9A 770/4885

“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.