SCHEMBL5151670

SCHEMBL5151670

COc1cc(CC(=O)C(Oc2ccc(C(=O)O)cc2)C2CCCN2)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 17/20 0.52
▸ ITGB1 P05556 6/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ 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
SCHEMBL6212481 0.92 ITGA4 (0.46) ITGA4ITGB1MEN1GAAKMT2A
SCHEMBL5151944 0.92 ITGA4 (0.46) ITGA4ITGB1MEN1GAAKMT2A
SCHEMBL6273679 0.92 ITGA4 (0.47) ITGA4ITGB1SMN1; SMN2MEN1GAA
SCHEMBL6208698 0.90 ITGA4 (0.46) ITGA4ITGB1SMN1; SMN2
SCHEMBL5150111 0.90 ITGA4 (0.46) ITGA4ITGB1SMN1; SMN2
SCHEMBL5156521 0.90 ITGA4 (0.45) ITGA4ITGB1SMN1; SMN2MEN1GAA
SCHEMBL6208148 0.89 ITGA4 (0.45) ITGA4ITGB1SMN1; SMN2MEN1GAA
SCHEMBL5152611 0.88 MAPT (0.44) ITGA4ITGB1SMN1; SMN2MEN1KMT2A
SCHEMBL6955370 0.86 ITGA4 (0.58) ITGA4ITGB1
SCHEMBL5152674 0.86 ITGA4 (0.51) ITGA4ITGB1SMN1; SMN2

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 7/4885SMN1; SMN2 4151/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 ITGA4 4/4885ITGB1 8/4885SMN1; SMN2 4245/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 ITGA4 5/4885ITGB1 7/4885SMN1; SMN2 4213/4885

“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