SCHEMBL2905591

SCHEMBL2905591

CNC1(C(=O)OC(C)(C)C)CO1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.33
GAA P10253 1/20 0.33
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 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
SCHEMBL14967165 0.72 USP2 (0.34) DGAT1GAAUSP2SMN1; SMN2CYP4F2
SCHEMBL16976214 0.71 DGAT1 (0.35) DGAT1CYP4F2CYP4A11
SCHEMBL9109275 0.68 CYP4F2 (0.33) USP2SMN1; SMN2CYP4F2CYP4A11
SCHEMBL6453825 0.68 GAA (0.33) GAAUSP2SMN1; SMN2CYP4F2CYP4A11
SCHEMBL14967585 0.68 CYP4F2 (0.33) USP2SMN1; SMN2CYP4F2CYP4A11
SCHEMBL6453831 0.68 GAA (0.33) GAAUSP2SMN1; SMN2CYP4F2CYP4A11
SCHEMBL26409713 0.67 USP2 (0.37) DGAT1GAAUSP2SMN1; SMN2
SCHEMBL20296707 0.67 KMT2A (0.36) DGAT1
SCHEMBL16837867 0.65 DGAT1 (0.31) DGAT1USP2SMN1; SMN2
SCHEMBL17801156 0.65 USP2 (0.30) USP2SMN1; 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 19 patents. 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
EP-3150617-B1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS CIPLA USA INC (US) 2020-04-08 EP disclosed
US-9688711-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2017-06-27 US disclosed
EP-3150617-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS Achaogen, Inc. (US) 2017-04-05 EP disclosed
US-20160368942-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS Cipla USA, Inc. 2016-12-22 US disclosed
EP-2217610-B1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN INC (US) 2016-11-02 EP 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-20130217642-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2013-08-22 US disclosed
US-8383596-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2013-02-26 US 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
WO-2010132777-A2 TREATMENT OF URINARY TRACT INFECTIONS WITH ANTIBACTERIAL AMINOGLYCOSIDE COMPOUNDS ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
WO-2010132770-A1 TREATMENT OF KLEBSIELLA PNEUMONIAE INFECTIONS WITH ANTIBACTERIAL AMINOGLYCOSIDE COMPOUNDS ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
EP-2217610-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS Achaogen, Inc. (US) 2010-08-18 EP disclosed
US-20100099661-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-04-22 US disclosed
WO-2009067692-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2009-05-28 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 (8 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-20130217642-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, MRPL9, NQO2 DGAT1 3101/4885GAA 253/4885USP2 3805/4885
US-20200317709-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, MRPL9, NQO2 DGAT1 3101/4885GAA 253/4885USP2 3805/4885
US-20160368942-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, MRPL9, NQO2 DGAT1 3101/4885GAA 253/4885USP2 3805/4885
US-20120214760-A1 TREATMENT OF URINARY TRACT INFECTIONS WITH ANTIBACTERIAL AMINOGLYCOSIDE COMPOUNDS NPEPPS, PIGS, ATP6V1B1 DGAT1 1268/4885GAA 36/4885USP2 2545/4885
US-20150045317-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, MRPL9, NQO2 DGAT1 3101/4885GAA 253/4885USP2 3805/4885
US-20100099661-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, MRPL9, NQO2 DGAT1 3101/4885GAA 253/4885USP2 3805/4885
US-11117915-B2 Antibacterial aminoglycoside analogs MRPL21, MRPL9, NQO2 DGAT1 3101/4885GAA 253/4885USP2 3805/4885
US-20120214759-A1 TREATMENT OF KLEBSIELLA PNEUMONIAE INFECTIONS WITH ANTIBACTERIAL AMINOGLYCOSIDE COMPOUNDS PIGS, PIGO, NPEPPS DGAT1 1153/4885GAA 64/4885USP2 2774/4885

“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.