SCHEMBL3313207

SCHEMBL3313207

COC(=O)[C@H](Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)NC(=O)c1c(Cl)cc(C)nc1Cl

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 10/20 0.66
ITGAV P06756 2/20 0.66
ITGA4 P13612 7/20 0.44
ITGB7 P26010 5/20 0.44
TACR3 P29371 1/20 0.41
CDK2 P24941 5/20 0.41
ITGA5 P08648 2/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2 P17301 1/20 0.38
CTNNB1 P35222 1/20 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
SCHEMBL3317053 0.91 ITGB1 (0.79) ITGB1ITGAVITGA4ITGB7ITGA5
SCHEMBL8353596 0.90 ITGB1 (0.80) ITGB1ITGAVITGA4ITGB7TACR3
SCHEMBL3319924 0.90 ITGB1 (0.80) ITGB1ITGAVITGA4ITGB7TACR3
SCHEMBL3315770 0.90 ITGB1 (0.80) ITGB1ITGAVITGA4ITGB7TACR3
SCHEMBL4625311 0.88 ITGB1 (0.70) ITGB1ITGAVITGA4ITGB7TACR3
SCHEMBL1028109 0.87 ITGB1 (0.72) ITGB1ITGAVITGA4ITGB7TACR3
SCHEMBL3314959 0.85 ITGB1 (0.72) ITGB1ITGAVITGA4ITGB7TACR3
SCHEMBL4627302 0.83 ITGB1 (0.69) ITGB1ITGAVITGA4ITGB7TACR3
SCHEMBL3313321 0.83 ITGB1 (0.69) ITGB1ITGAVITGA4ITGB7TACR3
SCHEMBL3314709 0.83 ITGB1 (0.63) ITGB1ITGAVITGA4ITGB7TACR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501801-B1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF VLA-4 DEPENDENT DISEASES UCB PHARMA SA (BE) 2008-01-23 EP claimed
US-20100105681-A1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS LASSOIE MARIE-AGNES 2010-04-29 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-20100105681-A1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS SCN4A, NECTIN4, VPS4B ITGB1 274/4885ITGAV 65/4885ITGA4 10/4885

“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.