SCHEMBL5363629

SCHEMBL5363629

Cc1ccccc1Nc1nc2c(C)cc(CC(=O)Nc3ccc(C4(CC(=O)O)CCCC4)cc3)cc2o1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
ITGA4 P13612 13/20 0.38
ITGB1 P05556 9/20 0.38
HPGD P15428 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
TGM2 P21980 1/20 0.36
SLC2A1 P11166 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 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
SCHEMBL5366851 0.94 ITGA4 (0.37) ITGA4ITGB1HPGDRAB9ATGM2
SCHEMBL5369377 0.89 RORC (0.34) TP53ITGA4ITGB1HPGDRAB9A
SCHEMBL5364851 0.89 ITGA4 (0.46) TP53ITGA4ITGB1RAB9ANPC1
SCHEMBL5363119 0.87 ITGA4 (0.46) TP53ITGA4ITGB1RAB9ANPC1
SCHEMBL14592390 0.86 TP53 (0.36) TP53ITGA4ITGB1HPGDRAB9A
SCHEMBL5366637 0.86 POLB (0.35) TP53ITGA4ITGB1RAB9ANPC1
SCHEMBL5370344 0.85 ITGA4 (0.47) TP53ITGA4ITGB1RAB9ANPC1
SCHEMBL5366720 0.83 ITGA4 (0.45) TP53ITGA4ITGB1RAB9ANPC1
SCHEMBL5690943 0.81 ITGB1 (0.59) ITGA4ITGB1HPGDRAB9A
SCHEMBL7702288 0.81 ITGB1 (0.59) ITGA4ITGB1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166616-B2 Substituted alkanoic acids AVENTIS PHARMA LIMITED (GB) 2007-01-23 US claimed
US-20040006056-A1 For therapy of disease states capable of being modulated by the inhibition of cell adhesion; therapy of asthma AVENTIS PHARMA LIMITED (GB) 2004-01-08 US claimed
US-7166616-B2 Substituted alkanoic acids AVENTIS PHARMA LIMITED (GB) 2007-01-23 US disclosed
US-7166616-B2 Substituted alkanoic acids AVENTIS PHARMA LIMITED (GB) 2007-01-23 US disclosed
US-7166616-B2 Substituted alkanoic acids AVENTIS PHARMA LIMITED (GB) 2007-01-23 US disclosed
US-20040006056-A1 For therapy of disease states capable of being modulated by the inhibition of cell adhesion; therapy of asthma AVENTIS PHARMA LIMITED (GB) 2004-01-08 US disclosed
EP-1330432-A2 SUBSTITUTED ALKANOIC ACIDS Aventis Pharma Limited (GB) 2003-07-30 EP disclosed
WO-2002036553-A2 SUBSTITUTED ALKANOIC ACIDS AVENTIS PHARMA LIMITED (GB) 2002-05-10 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 (1 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-20040006056-A1 For therapy of disease states capable of being modulated by the inhibition of cell adhesion; therapy of asthma VCAM1, LTB4R, ITGA1 TP53 3945/4885ITGA4 7/4885ITGB1 4/4885

“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.