SCHEMBL3223258

SCHEMBL3223258

N[C@@H](C(=O)N1CCC[C@H]1C(=O)O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.67
ALDH1A1 P00352 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ACE P12821 9/20 0.52
ITGB3 P05106 1/20 0.51
ITGB1 P05556 1/20 0.51
ITGAV P06756 1/20 0.51
ITGA5 P08648 1/20 0.51
ITGA4 P13612 1/20 0.51
LTA4H P09960 3/20 0.51
REN P00797 2/20 0.48
KDM4E B2RXH2 1/20 0.48
F2 P00734 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
PEPD P12955 1/20 0.48
ALOX15 P16050 1/20 0.48
PTGS1 P23219 1/20 0.48
HTR2A P28223 1/20 0.48
PTGS2 P35354 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
SCHEMBL3238628 1.00 DPP4 (0.67) DPP4ALDH1A1SMN1; SMN2ACEITGB3
SCHEMBL3223268 1.00 DPP4 (0.67) DPP4ALDH1A1SMN1; SMN2ACEITGB3
SCHEMBL3238359 1.00 DPP4 (0.67) DPP4ALDH1A1SMN1; SMN2ACEITGB3
SCHEMBL6435743 0.91 DPP4 (0.58) DPP4ALDH1A1SMN1; SMN2
SCHEMBL6435738 0.91 DPP4 (0.58) DPP4ALDH1A1SMN1; SMN2
SCHEMBL31376320 0.90 DPP4 (0.65) DPP4ALDH1A1SMN1; SMN2ACEF2
SCHEMBL5992939 0.85 DPP4 (0.60) DPP4ALDH1A1KDM4EF2
SCHEMBL13014739 0.84 DPP4 (0.58) DPP4F2
SCHEMBL6437308 0.84 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2ACEITGB3ITGB1
SCHEMBL6437305 0.84 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2ACEITGB3ITGB1

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
WO-2010027564-A2 AMIDO ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GLAXOSMITHKLINE LLC (US) 2010-03-11 WO claimed
US-20100061960-A1 Amido Anti-Viral Compounds, Compositions, And Methods Of Use SCHMITZ FRANZ ULRICH 2010-03-11 US claimed
WO-2010027564-A2 AMIDO ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GLAXOSMITHKLINE LLC (US) 2010-03-11 WO disclosed
US-20100061960-A1 Amido Anti-Viral Compounds, Compositions, And Methods Of Use SCHMITZ FRANZ ULRICH 2010-03-11 US disclosed
EP-1505062-A1 Heterocyclic derivatives and their use as antithrombotic agents Akzo Nobel N.V. (NL) 2005-02-09 EP disclosed
US-6797710-B2 CARDIOVASCULAR DISORDERS; SERINE PROTEASE INHIBITOR; ADMINISTERING BY MOUTH; BIOAVAILABILITY AKZO NOBEL N.V. (NL) 2004-09-28 US disclosed
US-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents MERCK SHARP & DOHME B.V. (NL) 2003-07-10 US disclosed
US-6444672-B1 ORAL BIOVAILABILITY; INHIBITORS OF THROMBIN AND/OR FACTOR XA; SERINE PROTEASE INHIBITOR AKZO NOBEL N.V. (NL) 2002-09-03 US disclosed
US-6432955-B1 ANTICOAGULANTS AKZO NOBEL N.V. (NL) 2002-08-13 US disclosed
US-6194409-B1 SERINE PROTEASE INHIBITOR; BIOAVAILABILITY WHEN ADMINISTERED BY MOUTH AKZO NOBEL N.V. (NL) 2001-02-27 US disclosed
EP-0975600-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS Akzo Nobel N.V. (NL) 2000-02-02 EP disclosed
WO-1998047876-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS AKZO NOBEL N.V. (NL) 1998-10-29 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 (2 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-20100061960-A1 Amido Anti-Viral Compounds, Compositions, And Methods Of Use HAVCR2, OAT, MAVS DPP4 167/4885ALDH1A1 4853/4885SMN1; SMN2 126/4885
US-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents F2, F12, VKORC1 DPP4 1413/4885ALDH1A1 170/4885SMN1; SMN2 2799/4885

“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.