SCHEMBL627618

SCHEMBL627618

NC(CCO)(OCc1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL27770119 0.81 ALDH1A1 (0.50) SMN1; SMN2HIF1APOLBKMT2AMEN1
SCHEMBL27685711 0.74 SMN1; SMN2 (0.50) SMN1; SMN2HIF1AKDM4EPOLBSLC1A3
SCHEMBL27846207 0.74 LTA4H (0.42) SMN1; SMN2HIF1APOLBSLC1A3SLC1A2
SCHEMBL21838058 0.72 TSHR (0.41) HIF1AKDM4EPOLBCYP1A2CYP2C19
SCHEMBL1653920 0.71 LTA4H (0.45) SMN1; SMN2HIF1AALDH1A1NPC1RAB9A
SCHEMBL4952574 0.71 ALDH1A1 (0.48) SMN1; SMN2HIF1AKMT2AMEN1ALDH1A1
SCHEMBL10659412 0.70 ALDH1A1 (0.44) SMN1; SMN2HIF1AKDM4EPOLBKMT2A
SCHEMBL9718961 0.69 ALDH1A1 (0.52) SMN1; SMN2HIF1APOLBKMT2AMEN1
SCHEMBL11475913 0.69 ALDH1A1 (0.52) SMN1; SMN2HIF1AKMT2AALDH1A1MAPK1
SCHEMBL883026 0.69 SLC16A3 (0.55) KMT2AALDH1A1MAPK1L3MBTL1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957507-B1 ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS IONIS PHARMACEUTICALS INC (US) 2018-10-24 EP disclosed
US-8569264-B2 Antibacterial 4,5-substituted aminoglycoside analogs having multiple substituents ISIS PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
US-8367625-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2013-02-05 US disclosed
US-20130005674-A1 ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS ISIS PHARMACEUTICALS, INC. (US) 2013-01-03 US disclosed
US-8114856-B2 Antibacterial 4,5-substituted aminoglycoside analogs having multiple substituents ISIS PHARMACEUTICALS, INC. (US) 2012-02-14 US disclosed
WO-2011044538-A9 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-01-05 WO disclosed
US-20110288041-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-11-24 US disclosed
US-20110166334-A1 ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS ISIS PHARMACEUTICALS,INC. (US) 2011-07-07 US disclosed
WO-2011044538-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-04-14 WO disclosed
US-7893039-B2 Antibacterial 4,5-substituted aminoglycoside analogs having multiple substituents ISIS PHARMACEUTICALS, INC. (US) 2011-02-22 US disclosed
CN-101715455-A Antibacterial 1,4,5-substituted aminoglycoside analogs ACHAOGEN INC 2010-05-26 CN disclosed
WO-2010042851-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-04-15 WO disclosed
EP-2148884-A1 ANTIBACTERIAL 1,4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS Achaogen, Inc. (US) 2010-02-03 EP disclosed
US-20080300199-A1 ANTIBACTERIAL 1,4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS ACHAOGEN INC. (US) 2008-12-04 US disclosed
US-20080293649-A1 ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS ISIS PHARMACEUTICALS, INC. (US) 2008-11-27 US disclosed
WO-2008124821-A1 ANTIBACTERIAL 1,4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS ACHAOGEN INC. (US) 2008-10-16 WO disclosed
EP-1957507-A2 ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS Isis Pharmaceuticals, Inc. (US) 2008-08-20 EP disclosed
WO-2007064954-A2 ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS ISIS PHARMACEUTICALS, INC. (US) 2007-06-07 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 (5 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-20110166334-A1 ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS ALG8, MRPL21, AADAC SMN1; SMN2 4348/4885HIF1A 2830/4885KDM4E 1248/4885
US-20080293649-A1 ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS ALG8, MRPL21, AADAC SMN1; SMN2 4348/4885HIF1A 2830/4885KDM4E 1248/4885
US-20080300199-A1 ANTIBACTERIAL 1,4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS ALG8, NRDC, MRPL21 SMN1; SMN2 3965/4885HIF1A 1915/4885KDM4E 3082/4885
US-20130005674-A1 ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS ALG8, MRPL21, AADAC SMN1; SMN2 4348/4885HIF1A 2830/4885KDM4E 1248/4885
US-20110288041-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, NQO2, QARS1 SMN1; SMN2 2836/4885HIF1A 4595/4885KDM4E 3626/4885

“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.