SCHEMBL5151944

SCHEMBL5151944

COc1cc(CC(=O)C(Oc2ccc(C(=O)O)c(C(=O)O)c2)C2CCCN2)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 13/20 0.46
▸ ITGB1 P05556 7/20 0.46
▸ MEN1 O00255 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ IDO1 P14902 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ P2RX7 Q99572 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
SCHEMBL6212481 1.00 ITGA4 (0.46) ITGA4ITGB1MEN1GAAKMT2A
SCHEMBL5151670 0.92 ITGA4 (0.52) ITGA4ITGB1MEN1GAAKMT2A
SCHEMBL5150111 0.88 ITGA4 (0.46) ITGA4ITGB1IDO1
SCHEMBL6208698 0.88 ITGA4 (0.46) ITGA4ITGB1IDO1
SCHEMBL6543093 0.87 IDO1 (0.39) ITGA4ITGB1MEN1GAAKMT2A
SCHEMBL6273679 0.86 ITGA4 (0.47) ITGA4ITGB1MEN1GAAKMT2A
SCHEMBL5156521 0.84 ITGA4 (0.45) ITGA4ITGB1MEN1GAAKMT2A
SCHEMBL6208148 0.84 ITGA4 (0.45) ITGA4ITGB1MEN1GAAKMT2A
SCHEMBL5152611 0.83 MAPT (0.44) ITGA4ITGB1MEN1KMT2A
SCHEMBL5152626 0.82 ITGA4 (0.46) 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 3/4885ITGB1 7/4885MEN1 2953/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 ITGA4 4/4885ITGB1 8/4885MEN1 3283/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 ITGA4 5/4885ITGB1 7/4885MEN1 3022/4885

“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.

Send feedback