SCHEMBL5153663

SCHEMBL5153663

Cc1cc(CC(=O)C(F)(Oc2ccc(C(=O)O)cc2)N2CCCC2)ccc1NC(=O)Nc1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 17/20 0.48
RAB9A P51151 1/20 0.47
ITGB1 P05556 1/20 0.43
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
AVPR2 P30518 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
SCHEMBL5151820 0.93 RAB9A (0.48) ITGA4RAB9ALMNAMAPTHTT
SCHEMBL5152020 0.92 ITGA4 (0.52) ITGA4ITGB1LMNAMAPT
SCHEMBL5155453 0.92 ITGA4 (0.48) ITGA4ITGB1
SCHEMBL6210735 0.90 ITGA4 (0.50) ITGA4RAB9AITGB1LMNAMAPT
SCHEMBL6208854 0.87 ITGA4 (0.57) ITGA4ITGB1
SCHEMBL5153406 0.86 MAPT (0.47) ITGA4RAB9AITGB1MAPTHTT
SCHEMBL5153046 0.85 MAPT (0.45) ITGA4RAB9ALMNAMAPTHTT
SCHEMBL5150125 0.85 ITGA4 (0.44) ITGA4RAB9ALMNAMAPT
SCHEMBL5152799 0.84 ITGA4 (0.43) ITGA4RAB9AITGB1LMNAMAPT
SCHEMBL6210969 0.82 ITGA4 (0.58) ITGA4ITGB1

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-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 US disclosed
US-20040229858-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-18 US disclosed
US-6756378-B2 BENZYL -UREA, -THIOUREA, OR -GUANIDINE DERIVATIVES THAT INHIBIT THE BINDING OF LIGANDS TO ALPHA 4 BETA 1 INTEGRIN (VLA-4) PHARMACOPEIA DRUG DISCOVERY, INC. 2004-06-29 US disclosed
US-20030078249-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-24 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 (3 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-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 ITGA4 3/4885RAB9A 2282/4885ITGB1 7/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 ITGA4 4/4885RAB9A 1984/4885ITGB1 8/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 ITGA4 5/4885RAB9A 2225/4885ITGB1 7/4885

“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.