SCHEMBL5025438

SCHEMBL5025438

O=C(O)CC1=C2CC=CC=C2N(CC(=O)NCCc2ccc(-c3nc4ccccc4[nH]3)cc2)C(=O)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.53
ITGAV P06756 7/20 0.53
MMP2 P08253 2/20 0.41
MMP13 P45452 2/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
GPR139 Q6DWJ6 1/20 0.37

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
SCHEMBL5024074 0.77 ITGB3 (0.48) ITGB3ITGAVALDH1A1
SCHEMBL5023988 0.74 ITGB3 (0.47) ITGB3ITGAVSMN1; SMN2KDM4EALDH1A1
SCHEMBL6426207 0.74 ITGB3 (0.71) ITGB3ITGAV
SCHEMBL5879588 0.69 MMP2 (0.62) ITGB3ITGAVMMP2MMP13MMP9
SCHEMBL5029896 0.66 ITGB3 (0.79) ITGB3ITGAV
SCHEMBL5028375 0.66 ITGB3 (0.46) ITGB3ITGAV
SCHEMBL5879901 0.65 ITGB3 (0.73) ITGB3ITGAVMMP2MMP13MMP9
SCHEMBL6444182 0.65 ITGB3 (0.56) ITGB3ITGAVTP53KDM4EALDH1A1
SCHEMBL5030065 0.65
SCHEMBL6440551 0.64 BCHE (0.61) ITGB3ITGAVMMP2MMP13MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221082-A1 Ligands of Integrin Receptors ABBOTT GMBH & CO. KG (DE) 2008-09-11 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 (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-20080221082-A1 Ligands of Integrin Receptors ITGB3, ITGAV, ITGA2B ITGB3 1/4885ITGAV 2/4885MMP2 2177/4885

“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.