SCHEMBL3301735

SCHEMBL3301735

C[C@H](NC(=O)O)C(=O)c1cn(C)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.36
BIRC2 Q13490 1/20 0.36
FPR1 P21462 1/20 0.36
KDM5A P29375 1/20 0.36
GRM2 Q14416 1/20 0.35
NTRK1 P04629 1/20 0.35
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
KDM4C Q9H3R0 1/20 0.33
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33
KCNA3 P22001 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
KAT7 O95251 1/20 0.32
KAT5 Q92993 1/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 1/20 0.32
STAT1 P42224 1/20 0.32
CPB2 Q96IY4 1/20 0.32
GRN P28799 1/20 0.31

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
SCHEMBL1911566 0.79 GRM2 (0.39) KDM5AGRM2NTRK1GSK3BDYRK1A
SCHEMBL12443623 0.78 CNR1 (0.40) XIAPBIRC2KDM5AGRM2NTRK1
SCHEMBL14701616 0.75 TAS1R3 (0.40) XIAPBIRC2KDM5AGRM2NTRK1
SCHEMBL14704051 0.75 NTRK1 (0.38) XIAPBIRC2KDM5AGRM2NTRK1
SCHEMBL14704024 0.75 NTRK1 (0.38) XIAPBIRC2KDM5AGRM2NTRK1
SCHEMBL4988236 0.75 GSK3B (0.37) XIAPBIRC2FPR1KDM5AGRM2
SCHEMBL17275443 0.75 SIRT2 (0.40) GLAMAPTSTAT1LMNATHRB
SCHEMBL170374 0.73
SCHEMBL13858654 0.72 KDM5A (0.34) KDM5AGRM2NTRK1GSK3BDYRK1A
SCHEMBL1662858 0.72 BAZ2B (0.46) XIAPBIRC2KDM5AGRM2NTRK1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11117915-B2 Antibacterial aminoglycoside analogs Cipla USA, Inc. (US) 2021-09-14 US disclosed
US-20200317709-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS Cipla USA, Inc. 2020-10-08 US disclosed
US-9688711-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2017-06-27 US disclosed
US-20160368942-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS Cipla USA, Inc. 2016-12-22 US disclosed
US-20160075724-A1 CETP Inhibitors MERCK SHARP & DOHME (US) 2016-03-17 US disclosed
US-9266919-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2016-02-23 US disclosed
US-20150045317-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS Cipla USA, Inc. 2015-02-12 US disclosed
US-8822424-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2014-09-02 US disclosed
US-20140221383-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 US disclosed
US-8735435-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2014-05-27 US disclosed
EP-1765793-B1 ANACETRAPIB AND OTHER CETP INHIBITPRS MERCK SHARP & DOHME (US) 2012-09-26 EP disclosed
US-20120214759-A1 TREATMENT OF KLEBSIELLA PNEUMONIAE INFECTIONS WITH ANTIBACTERIAL AMINOGLYCOSIDE COMPOUNDS ACHAOGEN, INC. (US) 2012-08-23 US disclosed
US-20120214760-A1 TREATMENT OF URINARY TRACT INFECTIONS WITH ANTIBACTERIAL AMINOGLYCOSIDE COMPOUNDS ACHAOGEN, INC. (US) 2012-08-23 US disclosed
US-20100099661-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-04-22 US disclosed
US-20100099716-A1 CETP INHIBITORS MERCK SHARP & DOHME LLC 2010-04-22 US disclosed
US-7652049-B2 1-benzyl-4-[4'-fluoro-5'-isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]imidazolidin-2-one; cholesteryl ester transfer protein inhibitor; raising HDL-cholesterol, reducing LDL-cholesterol; atherosclerosis; antiinflammatory agent; synergistic mixture with other active ingredients MERCK & CO., INC. (US) 2010-01-26 US disclosed
US-20080119476-A1 Cetp Inhibitors ALI AMJAD 2008-05-22 US disclosed
EP-1765793-A1 CETP INHIBITORS Merck and Co., Inc. (US) 2007-03-28 EP disclosed
US-20060040999-A1 CETP inhibitors MERCK SHARP & DOHME LLC 2006-02-23 US disclosed
WO-2006014413-A1 CETP INHIBITORS MERCK & CO., INC. (US) 2006-02-09 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 (12 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-20140221383-A1 CETP INHIBITORS CETP, APOB, MTTP XIAP 3398/4885BIRC2 3400/4885FPR1 1221/4885
US-20060040999-A1 CETP inhibitors CETP, APOB, MTTP XIAP 3398/4885BIRC2 3400/4885FPR1 1221/4885
US-20200317709-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, MRPL9, NQO2 XIAP 717/4885BIRC2 3183/4885FPR1 3676/4885
US-20160368942-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, MRPL9, NQO2 XIAP 717/4885BIRC2 3183/4885FPR1 3676/4885
US-20120214760-A1 TREATMENT OF URINARY TRACT INFECTIONS WITH ANTIBACTERIAL AMINOGLYCOSIDE COMPOUNDS NPEPPS, PIGS, ATP6V1B1 XIAP 754/4885BIRC2 2772/4885FPR1 2287/4885
US-20150045317-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, MRPL9, NQO2 XIAP 717/4885BIRC2 3183/4885FPR1 3676/4885
US-20100099661-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, MRPL9, NQO2 XIAP 717/4885BIRC2 3183/4885FPR1 3676/4885
US-20080119476-A1 Cetp Inhibitors CETP, APOB, MTTP XIAP 3398/4885BIRC2 3400/4885FPR1 1221/4885
US-11117915-B2 Antibacterial aminoglycoside analogs MRPL21, MRPL9, NQO2 XIAP 717/4885BIRC2 3183/4885FPR1 3676/4885
US-20120214759-A1 TREATMENT OF KLEBSIELLA PNEUMONIAE INFECTIONS WITH ANTIBACTERIAL AMINOGLYCOSIDE COMPOUNDS PIGS, PIGO, NPEPPS XIAP 1326/4885BIRC2 3170/4885FPR1 3411/4885
US-20100099716-A1 CETP INHIBITORS CETP, APOB, MTTP XIAP 3398/4885BIRC2 3400/4885FPR1 1221/4885
US-20160075724-A1 CETP Inhibitors CETP, APOB, MTTP XIAP 3398/4885BIRC2 3400/4885FPR1 1221/4885

“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.