SCHEMBL243198

SCHEMBL243198

C=C(CCCCNC(=N)N)NCC(=O)NCC(C(=O)O)c1cccnc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.37
ITGB3 P05106 4/20 0.36
ITGA2B P08514 3/20 0.36
TBXAS1 P24557 3/20 0.36
ALDH1A1 P00352 1/20 0.36
MCL1 Q07820 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTAFR P25105 1/20 0.36
KCNA5 P22460 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35

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
SCHEMBL243189 0.91 PTAFR (0.41) EPHX2ITGB3ITGA2BTBXAS1ALDH1A1
SCHEMBL243197 0.83 ITGB3 (0.54) ITGB3ITGA2BTBXAS1ITGAV
SCHEMBL4283125 0.79 EPHX2 (0.38) EPHX2ITGB3ITGA2BALDH1A1MCL1
SCHEMBL5965846 0.75 QRFPR (0.40) EPHX2ITGB3ITGA2BALDH1A1MCL1
SCHEMBL4732094 0.74 EPHX2 (0.41) EPHX2ITGB3ITGA2BITGAVCYP2C9
SCHEMBL4924076 0.74 ITGB3 (0.56) ITGB3ITGA2BTBXAS1PTAFRITGAV
SCHEMBL6946884 0.73 ITGB3 (0.55) ITGB3ITGA2BTBXAS1ITGAVMAPT
SCHEMBL7505687 0.73 SMN1; SMN2 (0.46) EPHX2TBXAS1L3MBTL1KCNA5LMNA
SCHEMBL8077542 0.71 ITGB3 (0.66) EPHX2ITGB3ITGA2BITGAV
SCHEMBL6950480 0.71 ITGB3 (0.57) ITGB3ITGA2BITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120003229-A1 MODULATORS OF CYTOKINE MEDIATED SIGNALLING PATHWAYS AND INTEGRIN ALPHAVBETA3 RECEPTOR ANTAGONISTS FOR COMBINATION THERAPY GENESTE HERVE (DE) 2012-01-05 US disclosed
US-20090311266-A1 Inhibitors of the endothelin signalling pathway and alphavbeta3 integrin receptor antagonists for combination therapy BASF AKTIENGESELLSCHAFT (DE) 2009-12-17 US disclosed
EP-1239877-B1 COMPOSITION COMPRISING A TNF-ALPHA INHIBITOR AND AN INTEGRIN ALPHAVBETA3 RECEPTOR ANTAGONIST ABBOTT GMBH & CO KG (DE) 2008-01-09 EP disclosed
US-20060159678-A1 Modulators of cytokine mediated signaling pathways and integrin alphabeta3 receptor antagonists for combination therapy GENESTE HERVE 2006-07-20 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 (3 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-20060159678-A1 Modulators of cytokine mediated signaling pathways and integrin alphabeta3 receptor antagonists for combination therapy ITGB3, IL6ST, IL1RN EPHX2 2884/4885ITGB3 1/4885ITGA2B 10/4885
US-20090311266-A1 Inhibitors of the endothelin signalling pathway and alphavbeta3 integrin receptor antagonists for combination therapy EDNRB, EDNRA, ITGB3 EPHX2 1659/4885ITGB3 3/4885ITGA2B 12/4885
US-20120003229-A1 MODULATORS OF CYTOKINE MEDIATED SIGNALLING PATHWAYS AND INTEGRIN ALPHAVBETA3 RECEPTOR ANTAGONISTS FOR COMBINATION THERAPY ITGB3, ITGAV, ITGB1 EPHX2 3355/4885ITGB3 1/4885ITGA2B 9/4885

“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.