Sugi Predict

Sugi Predict / Compounds / SCHEMBL3317515

SCHEMBL3317515

SCHEMBL3317515

CC(C)(C)OC(=O)C(Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)NC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 16/20 0.75
▸ ITGAV P06756 4/20 0.75
▸ ITGA4 P13612 11/20 0.50
▸ ITGB7 P26010 9/20 0.50
▸ ITGA5 P08648 4/20 0.43
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ITGB3 P05106 2/20 0.40
▸ ITGA2 P17301 1/20 0.39
▸ MAOA P21397 1/20 0.39

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
SCHEMBL3315770 0.91 ITGB1 (0.80) ITGB1ITGAVITGA4ITGB7ITGA5
SCHEMBL3319924 0.91 ITGB1 (0.80) ITGB1ITGAVITGA4ITGB7ITGA5
SCHEMBL8353596 0.91 ITGB1 (0.80) ITGB1ITGAVITGA4ITGB7ITGA5
SCHEMBL4625588 0.88 ITGB1 (0.73) ITGB1ITGAVITGA4ITGB7ITGA5
SCHEMBL3313570 0.88 ITGB1 (0.70) ITGB1ITGAVITGA4ITGB7ITGA5
SCHEMBL4655413 0.86 ITGB1 (0.70) ITGB1ITGAVITGA4ITGB7ITGA5
SCHEMBL3320795 0.86 ITGB1 (0.59) ITGB1ITGAVITGA4ITGB7
SCHEMBL4627521 0.86 ITGB1 (0.59) ITGB1ITGAVITGA4ITGB7
SCHEMBL1030225 0.86 ITGB1 (0.59) ITGB1ITGAVITGA4ITGB7
SCHEMBL3313373 0.86 ITGB1 (1.00) ITGB1ITGAVITGA4ITGB7ITGA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 425/4885ITGA4 29/4885
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 65/4885ITGA4 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.