SCHEMBL1734359

SCHEMBL1734359

CC(C1CCCC1)C(C(=O)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX1 P07099 3/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
MMP2 P08253 2/20 0.38
CA9 Q16790 2/20 0.38
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
TP53 P04637 1/20 0.35
DPP4 P27487 1/20 0.34
ACE P12821 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
SCHEMBL18281712 0.98 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2EPHX1CA12CA1
SCHEMBL8735981 0.98 EPHX1 (0.43) ALDH1A1SMN1; SMN2EPHX1CA12CA1
SCHEMBL28203322 0.80 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2EPHX1CA12CA1
Bromide SCHEMBL5466773 0.79 SLC7A5 (0.46) ALDH1A1SMN1; SMN2EPHX1DPP4
Bromide SCHEMBL5466774 0.79 SLC7A5 (0.46) ALDH1A1SMN1; SMN2EPHX1DPP4
SCHEMBL28236968 0.79 IDO1 (0.34) DPP4
SCHEMBL27962173 0.78 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2EPHX1CA12CA1
SCHEMBL7794337 0.78 EPHX1 (0.43) ALDH1A1SMN1; SMN2EPHX1CA12CA1
SCHEMBL28203211 0.78 EPHX1 (0.43) ALDH1A1SMN1; SMN2EPHX1CA12CA1
SCHEMBL27338949 0.78 GAA (0.38) ALDH1A1SMN1; SMN2EPHX1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11981704-B2 Decarboxylative conjugate additions and applications thereof THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2024-05-14 US disclosed
US-20220002342-A1 DECARBOXYLATIVE CONJUGATE ADDITIONS AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2022-01-06 US disclosed
US-11136349-B2 Decarboxylative conjugate additions and applications thereof THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2021-10-05 US disclosed
US-20180179248-A1 DECARBOXYLATIVE CONJUGATE ADDITIONS AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2018-06-28 US disclosed
WO-2016196931-A1 DECARBOXYLATIVE CONJUGATE ADDITIONS AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2016-12-08 WO disclosed
EP-1896452-B1 N-FORMYL HYDROXYLAMINE COMPOUNDS NOVARTIS AG (CH) 2011-11-16 EP disclosed
US-8044199-B2 N-formyl hydroxylamines compounds VICURON HOLDINGS LLC (US) 2011-10-25 US disclosed
US-20100063278-A1 N-Formyl Hydroxylamines compounds NOVARTIS AG (CH) 2010-03-11 US disclosed
US-7615635-B2 N-formyl hydroxylamines NOVARTIS AG (CH) 2009-11-10 US disclosed
US-20090062537-A1 N-Formyl Hydrozyamine Compounds LEE KWANGHO 2009-03-05 US disclosed
EP-1994027-A2 N-FORMYL HYDROXYLAMINE COMPOUNDS Novartis AG (CH) 2008-11-26 EP disclosed
US-20080161558-A1 1-[2-Cyclopentylmethyl-3-(formyl-hydroxy-amino)-propionyl]-pyrrolidine-2-carboxylic acid (5-fluoro-1-oxy-pyridin-2-yl)-amide; inhibitors of peptidyl deformylase (PDF), antimicrobials and antibiotics VICURON HOLDINGS LLC 2008-07-03 US disclosed
EP-1896452-A2 N-FORMYL HYDROXYLAMINE COMPOUNDS Novartis Pharma AG. (CH) 2008-03-12 EP disclosed
WO-2007106670-A2 N-FORMYL HYDROXYLAMINE COMPOUNDS NOVARTIS AG (CH) 2007-09-20 WO disclosed
WO-2006127576-A2 N - FORMYL HYDROXYLAMINE COMPOUNDS AS PDF INHIBITORS NOVARTIS AG (CH) 2006-11-30 WO disclosed
US-5716973-A ADMINISTERING DIFLUORO STATONE ANALOGS MERRELL PHARMACEUTICALS INC. (US) 1998-02-10 US disclosed
US-5559140-A VIRICIDES MERRELL PHARMACEUTICALS INC. (US) 1996-09-24 US disclosed
EP-0565631-B1 ANTI-VIRAL COMPOUNDS MERRELL PHARMA INC (US) 1996-09-18 EP disclosed
EP-0565631-A1 ANTI-VIRAL COMPOUNDS. MERRELL DOW PHARMA (US) 1993-10-20 EP disclosed
WO-1992012123-A1 ANTI-VIRAL COMPOUNDS MERRELL DOW PHARMACEUTICALS INC. (US) 1992-07-23 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 (7 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-20180179248-A1 DECARBOXYLATIVE CONJUGATE ADDITIONS AND APPLICATIONS THEREOF PTMS, DNPEP, QPCT ALDH1A1 436/4885SMN1; SMN2 3507/4885EPHX1 3340/4885
US-20220002342-A1 DECARBOXYLATIVE CONJUGATE ADDITIONS AND APPLICATIONS THEREOF PTMS, DNPEP, QPCT ALDH1A1 436/4885SMN1; SMN2 3507/4885EPHX1 3340/4885
US-20100063278-A1 N-Formyl Hydroxylamines compounds PDF, MMP2, HNMT ALDH1A1 1461/4885SMN1; SMN2 4089/4885EPHX1 1858/4885
US-11981704-B2 Decarboxylative conjugate additions and applications thereof PTMS, DNPEP, QPCT ALDH1A1 436/4885SMN1; SMN2 3507/4885EPHX1 3340/4885
US-11136349-B2 Decarboxylative conjugate additions and applications thereof PTMS, DNPEP, QPCT ALDH1A1 436/4885SMN1; SMN2 3507/4885EPHX1 3340/4885
US-20090062537-A1 N-Formyl Hydrozyamine Compounds PDF, HNMT, MMP2 ALDH1A1 1755/4885SMN1; SMN2 3897/4885EPHX1 1652/4885
US-20080161558-A1 1-[2-Cyclopentylmethyl-3-(formyl-hydroxy-amino)-propionyl]-pyrrolidine-2-carboxylic acid (5-fluoro-1-oxy-pyridin-2-yl)-amide; inhibitors of peptidyl deformylase (PDF), antimicrobials and antibiotics PDF, MMP2, PEPD ALDH1A1 1080/4885SMN1; SMN2 3632/4885EPHX1 1770/4885

“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.