SCHEMBL3318809

SCHEMBL3318809

COc1ccc2ccccc2c1-c1ccc2cc(C[C@H](NC(=O)c3c(F)cccc3F)C(=O)O)ccc2n1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 7/20 0.58
ITGAV P06756 2/20 0.58
ALB P02768 2/20 0.47
IL2 P60568 2/20 0.47
ITGA4 P13612 6/20 0.44
ITGB2 P05107 2/20 0.44
ICAM1 P05362 2/20 0.44
ITGAL P20701 2/20 0.44
PTPN1 P18031 3/20 0.43
PTPN2 P17706 2/20 0.43
CDC25B P30305 2/20 0.43
PIN1 Q13526 3/20 0.42
ITGB3 P05106 1/20 0.42
ITGA5 P08648 1/20 0.42
ITGB7 P26010 3/20 0.42
FPR2 P25090 1/20 0.42
KMT2A Q03164 1/20 0.41

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
SCHEMBL3320582 0.93 ITGB1 (0.61) ITGB1ITGAVITGA4PTPN1PIN1
SCHEMBL4626444 0.92 ITGB1 (0.64) ITGB1ITGAVALBIL2ITGA4
SCHEMBL3315019 0.90 ITGB1 (0.73) ITGB1ITGAVITGA4ITGB3ITGA5
SCHEMBL3318816 0.87 ITGB1 (0.66) ITGB1ITGAVITGA4ITGB2ICAM1
SCHEMBL4627083 0.83 ITGB1 (0.71) ITGB1ITGAVITGA4ITGB3ITGA5
SCHEMBL3316690 0.82 ITGB1 (0.85) ITGB1ITGAVALBIL2ITGA4
SCHEMBL3314866 0.81 ITGB1 (0.81) ITGB1ITGAVITGA4ITGB3ITGA5
SCHEMBL3313117 0.81 ITGB1 (0.81) ITGB1ITGAVITGA4ITGB3ITGA5
SCHEMBL3318793 0.81 ITGB1 (0.81) ITGB1ITGAVITGA4ITGB3ITGA5
SCHEMBL3315359 0.81 ITGB1 (0.80) ITGB1ITGAVALBIL2ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638630-B2 Very Late Antigen-4 dependent inflammatory disease; asthma, allergic rhinitis, sinusitis, conjunctivitis, food allergy, inflammatory skin disorders, autoimmune disorders, or atherosclerosis, inflammatory skin disorder; methyl 3-[2-(2,6-dichlorophenyl)-6-quinolinyl]-2-hydroxy-2-propenoate UCB PHARMA S.A. (BE) 2009-12-29 US claimed
US-20080064720-A1 2,6-Quinolinyl And 2,6-Naphthyl Derivatives, Processes For Preparing Them And Their Uses As Vla-4 Inhibitors UCB, S.A. (BE) 2008-03-13 US claimed
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
EP-1870402-A1 2,6-quinolinyl and 2,6-naphthyl derivatives, processes for preparing them and their uses as VLA-4 inhibitors UCB Pharma, S.A. (BE) 2007-12-26 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
US-7638630-B2 Very Late Antigen-4 dependent inflammatory disease; asthma, allergic rhinitis, sinusitis, conjunctivitis, food allergy, inflammatory skin disorders, autoimmune disorders, or atherosclerosis, inflammatory skin disorder; methyl 3-[2-(2,6-dichlorophenyl)-6-quinolinyl]-2-hydroxy-2-propenoate UCB PHARMA S.A. (BE) 2009-12-29 US disclosed
US-20080064720-A1 2,6-Quinolinyl And 2,6-Naphthyl Derivatives, Processes For Preparing Them And Their Uses As Vla-4 Inhibitors UCB, S.A. (BE) 2008-03-13 US disclosed
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 disclosed
EP-1870402-A1 2,6-quinolinyl and 2,6-naphthyl derivatives, processes for preparing them and their uses as VLA-4 inhibitors UCB Pharma, S.A. (BE) 2007-12-26 EP 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-20080064720-A1 2,6-Quinolinyl And 2,6-Naphthyl Derivatives, Processes For Preparing Them And Their Uses As Vla-4 Inhibitors VCAM1, HRH4, LTA4H ITGB1 781/4885ITGAV 425/4885ALB 3380/4885
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 65/4885ALB 2286/4885

“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.