SCHEMBL5150111

SCHEMBL5150111

COc1cc(CC(=O)C(Oc2ccc(C(=O)O)cc2C(=O)O)C2CCCN2)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 13/20 0.46
▸ ITGB1 P05556 5/20 0.45
▸ IDO1 P14902 3/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PYGL P06737 1/20 0.41
▸ LMNA P02545 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL6208698 1.00 ITGA4 (0.46) ITGA4ITGB1IDO1SMN1; SMN2PYGL
SCHEMBL6273679 0.94 ITGA4 (0.47) ITGA4ITGB1SMN1; SMN2PYGL
SCHEMBL5156521 0.92 ITGA4 (0.45) ITGA4ITGB1SMN1; SMN2PYGL
SCHEMBL6208148 0.91 ITGA4 (0.45) ITGA4ITGB1IDO1SMN1; SMN2PYGL
SCHEMBL5150188 0.91 ITGB1 (0.40) ITGA4ITGB1RAB9A
SCHEMBL5151670 0.90 ITGA4 (0.52) ITGA4ITGB1SMN1; SMN2
SCHEMBL5152611 0.90 MAPT (0.44) ITGA4ITGB1SMN1; SMN2RAB9A
SCHEMBL5151944 0.88 ITGA4 (0.46) ITGA4ITGB1IDO1
SCHEMBL6212481 0.88 ITGA4 (0.46) ITGA4ITGB1IDO1
SCHEMBL5182974 0.84 ITGA4 (0.42) ITGA4ITGB1SMN1; SMN2LMNARAB9A

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 8 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
EP-1189612-A4 VLA-4 INHIBITOR COMPOUNDS DAIICHI SEIYAKU CO (JP) 2005-02-16 — — EP 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
EP-1189612-A1 VLA-4 INHIBITOR COMPOUNDS Daiichi Pharmaceutical Co., Ltd. (JP) 2002-03-27 — — EP disclosed
WO-2001000206-A1 VLA-4 INHIBITOR COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-04 — — WO 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 7/4885IDO1 1066/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 ITGA4 4/4885ITGB1 8/4885IDO1 1241/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 ITGA4 5/4885ITGB1 7/4885IDO1 882/4885

“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.

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