SCHEMBL2398642

SCHEMBL2398642

Nc1cc(N)cc(C(=O)NCC(=O)O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.67
MAPT P10636 1/20 0.67
HIF1A Q16665 1/20 0.67
SLC22A6 Q4U2R8 1/20 0.67
SLC22A8 Q8TCC7 1/20 0.67
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
MAPK1 P28482 1/20 0.46
PTPRC P08575 2/20 0.45
CTSL P07711 1/20 0.45
PTPN13 Q12923 1/20 0.45
ATM Q13315 1/20 0.44
RAB9A P51151 1/20 0.42
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SOST Q9BQB4 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 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
SCHEMBL15630972 0.88 KDM4E (0.57) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL3898783 0.84 KDM4E (0.53) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL15942885 0.82 KDM4E (0.51) KDM4EMAPTHIF1ASLC22A6SLC22A8
Hydrochloric Acid SCHEMBL6776606 0.82 KDM4E (0.51) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL4910550 0.82 KDM4E (0.64) KDM4EMAPTHIF1ASLC22A6SLC22A8
Aminohippuric Acid SCHEMBL196513 0.80 KDM4E (1.00) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL2402180 0.80 MAPT (0.56) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL8743518 0.79 KDM4E (0.56) KDM4EMAPTHIF1ASLC22A6SLC22A8
Aminohippuric Acid SCHEMBL31038605 0.78 KDM4E (0.96) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL7787094 0.76 KDM4E (0.58) KDM4EMAPTHIF1ACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2386539-B1 4-Aminoproline derivatives useful as lysine mimetics ZEALAND PHARMA AS (DK) 2016-07-20 EP disclosed
CN-102690221-B Modified lysine-mimetic compounds ZEALAND PHARMA AS 2014-12-03 CN disclosed
EP-1966130-B1 MODIFIED LYSINE-MIMETIC COMPOUNDS ZEALAND PHARMA AS (DK) 2013-12-11 EP disclosed
US-20130225644-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS ZEALAND PHARMA A/S (DK) 2013-08-29 US disclosed
US-8431540-B2 Modified lysine-mimetic compounds ZEALAND PHARMA A/S (DK) 2013-04-30 US disclosed
US-20120245106-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS ZEALAND PHARMA A/S (DK) 2012-09-27 US disclosed
CN-102690221-A Modified lysine-mimetic compounds ZEALAND PHARMA AS 2012-09-26 CN disclosed
CN-101336229-B Modified lysine-mimetic compounds ZEALAND PHARMA AS 2012-06-13 CN disclosed
EP-2386539-A2 Modified lysine-mimetic compounds Zealand Pharma A/S (DK) 2011-11-16 EP disclosed
US-D647202-S1 Bone marrow harvesting device WARSAW ORTHOPEDIC, INC. (US) 2011-10-18 US disclosed
US-8026272-B2 Modified lysine-mimetic compounds ZEALAND PHARMA A/S (DK) 2011-09-27 US disclosed
US-20100249206-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS Zealand Pharma A/S and Wyeth 2010-09-30 US disclosed
US-7622496-B2 antiarrhythmia agents; 1-(2-Amino-acetyl)-4-(benzoylamino)-pyrrolidine-2-carboxylic acid; desirable bioavailability properties ZEALAND PHARMA A/S (DK) 2009-11-24 US disclosed
CN-101336229-A Modified lysine-mimetic compounds ZEALAND PHARMA AS (DK) 2008-12-31 CN disclosed
EP-1966130-A2 MODIFIED LYSINE-MIMETIC COMPOUNDS Zealand Pharma A/S (DK) 2008-09-10 EP disclosed
WO-2007078990-A2 MODIFIED LYSINE-MIMETIC COMPOUNDS ZEALAND PHARMA A/S (DK) 2007-07-12 WO disclosed
US-20070149460-A1 Modified lysine-mimetic compounds ZEALAND PHARMA A/S (DK) 2007-06-28 US 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 (4 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-20120245106-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS MYLK2, KCNN2, KCNN1 KDM4E 80/4885MAPT 3437/4885HIF1A 4374/4885
US-20130225644-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS MYLK2, KCNN2, KCNN1 KDM4E 80/4885MAPT 3437/4885HIF1A 4374/4885
US-20100249206-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS MYLK2, KCNN2, KCNN1 KDM4E 80/4885MAPT 3437/4885HIF1A 4374/4885
US-20070149460-A1 Modified lysine-mimetic compounds MYLK2, KCNN2, KCNN1 KDM4E 80/4885MAPT 3437/4885HIF1A 4374/4885

“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.