SCHEMBL2399552

SCHEMBL2399552

NC(Cc1ccc(NC(=O)c2ccccc2)cc1)C(=O)NCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.51
ITGAV P06756 1/20 0.51
ITGA2B P08514 1/20 0.51
NAMPT P43490 1/20 0.49
MME P08473 3/20 0.49
ACE P12821 3/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPT P10636 1/20 0.49
ECE1 P42892 1/20 0.49
BLM P54132 1/20 0.49
NPEPPS P55786 1/20 0.49
KDM4E B2RXH2 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48

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
SCHEMBL2400620 0.89 NPC1 (0.52) ITGB3ITGAVITGA2BNAMPTALDH1A1
SCHEMBL2399463 0.86 NPC1 (0.56) NAMPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL2401963 0.85 KMT2A (0.53) ALDH1A1MEN1KMT2AMAPK1MAPT
SCHEMBL19234470 0.84 ITGB3 (0.67) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL757263 0.84 ITGB3 (0.67) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL7769029 0.84 ITGB3 (0.67) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL1329815 0.83 MME (0.62) MMEACEALDH1A1MEN1KMT2A
SCHEMBL6047673 0.83 MME (0.62) MMEACEALDH1A1MEN1KMT2A
SCHEMBL1329817 0.83 MME (0.62) MMEACEALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL8692950 0.82 MME (0.60) MMEACEALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 ITGB3 2742/4885ITGAV 1730/4885ITGA2B 2541/4885
US-20130225644-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS MYLK2, KCNN2, KCNN1 ITGB3 2742/4885ITGAV 1730/4885ITGA2B 2541/4885
US-20100249206-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS MYLK2, KCNN2, KCNN1 ITGB3 2742/4885ITGAV 1730/4885ITGA2B 2541/4885
US-20070149460-A1 Modified lysine-mimetic compounds MYLK2, KCNN2, KCNN1 ITGB3 2742/4885ITGAV 1730/4885ITGA2B 2541/4885

“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.