SCHEMBL2404098

SCHEMBL2404098

O=C(N[C@@H]1C[C@@H](C(=O)O)N(C(=O)CNS(=O)(=O)c2ccccc2)C1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.49
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
USP2 O75604 1/20 0.42
DPP4 P27487 1/20 0.42
AGTR2 P50052 3/20 0.42
ANPEP P15144 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
ACE P12821 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
SCHEMBL4970511 0.88 MMP2 (0.53) MMP2ALDH1A1LMNAHTTMEN1
SCHEMBL2402062 0.88 MMP2 (0.53) MMP2ALDH1A1LMNAHTTMEN1
SCHEMBL13623188 0.88 MMP2 (0.53) MMP2ALDH1A1LMNAHTTMEN1
SCHEMBL5009471 0.87 MMP2 (0.52) MMP2ALDH1A1LMNAHTTMEN1
SCHEMBL2400737 0.87 MMP2 (0.52) MMP2ALDH1A1LMNAHTTMEN1
SCHEMBL2398912 0.85 MMP2 (0.50) MMP2AGTR2ANPEPACE
SCHEMBL4974547 0.84 NPC1 (0.46) ALDH1A1NPC1RAB9ALMNAMEN1
SCHEMBL2399790 0.83 MMP2 (0.57) MMP2AGTR2ANPEPNPSR1ACE
SCHEMBL2526009 0.83 MMP2 (0.57) MMP2AGTR2ANPEPNPSR1ACE
SCHEMBL2525161 0.81 MMP2 (0.57) MMP2AGTR2ANPEPACE

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 9 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
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 MMP2 1902/4885ALDH1A1 1510/4885NPC1 2300/4885
US-20130225644-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS MYLK2, KCNN2, KCNN1 MMP2 1902/4885ALDH1A1 1510/4885NPC1 2300/4885
US-20100249206-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS MYLK2, KCNN2, KCNN1 MMP2 1902/4885ALDH1A1 1510/4885NPC1 2300/4885
US-20070149460-A1 Modified lysine-mimetic compounds MYLK2, KCNN2, KCNN1 MMP2 1902/4885ALDH1A1 1510/4885NPC1 2300/4885

“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.