SCHEMBL243189

SCHEMBL243189

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.41
MAPT P10636 1/20 0.40
KCNA5 P22460 2/20 0.40
ITGB3 P05106 3/20 0.40
ITGAV P06756 1/20 0.40
CYP3A4 P08684 2/20 0.39
EPHX2 P34913 2/20 0.39
TBXAS1 P24557 1/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC3 O15379 2/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
ITGA2B P08514 2/20 0.38

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
SCHEMBL243198 0.91 EPHX2 (0.37) PTAFRMAPTKCNA5ITGB3ITGAV
SCHEMBL4924076 0.82 ITGB3 (0.56) PTAFRITGB3ITGAVTBXAS1ITGA2B
SCHEMBL4283125 0.81 EPHX2 (0.38) ITGB3ITGAVEPHX2ITGA2BALDH1A1
SCHEMBL6946884 0.81 ITGB3 (0.55) MAPTITGB3ITGAVCYP3A4TBXAS1
SCHEMBL5965846 0.80 QRFPR (0.40) ITGB3ITGAVEPHX2ITGA2BALDH1A1
SCHEMBL6950480 0.79 ITGB3 (0.57) ITGB3ITGAVITGA2B
SCHEMBL6358935 0.78 FOLH1 (0.49) PTAFRMAPTCYP3A4EPHX2
SCHEMBL6953427 0.78 ITGB3 (0.45) PTAFRMAPTKCNA5ITGB3ITGAV
SCHEMBL4732094 0.77 EPHX2 (0.41) ITGB3ITGAVEPHX2ITGA2B
SCHEMBL8077542 0.76 ITGB3 (0.66) ITGB3ITGAVEPHX2ITGA2B

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 3 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
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 (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-20060159678-A1 Modulators of cytokine mediated signaling pathways and integrin alphabeta3 receptor antagonists for combination therapy ITGB3, IL6ST, IL1RN PTAFR 111/4885MAPT 4261/4885KCNA5 2742/4885
US-20120003229-A1 MODULATORS OF CYTOKINE MEDIATED SIGNALLING PATHWAYS AND INTEGRIN ALPHAVBETA3 RECEPTOR ANTAGONISTS FOR COMBINATION THERAPY ITGB3, ITGAV, ITGB1 PTAFR 110/4885MAPT 4181/4885KCNA5 1965/4885

“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.