SCHEMBL5151772

SCHEMBL5151772

COc1cc(CC(=O)C(Oc2ccc(C(=O)O)cc2OC)C2CC(O)CN2)ccc1NC(=O)Nc1ccccc1C

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 16/20 0.48
▸ ITGB1 P05556 6/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ P2RX7 Q99572 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL5152316 0.92 ITGA4 (0.42) ITGA4ITGB1SMN1; SMN2P2RX7MEN1
SCHEMBL5150154 0.89 ITGA4 (0.47) ITGA4ITGB1SMN1; SMN2
SCHEMBL6273679 0.87 ITGA4 (0.47) ITGA4ITGB1SMN1; SMN2P2RX7MEN1
SCHEMBL6955370 0.84 ITGA4 (0.58) ITGA4ITGB1
SCHEMBL6953576 0.82 PTGER1 (0.36) SMN1; SMN2
SCHEMBL6208698 0.81 ITGA4 (0.46) ITGA4ITGB1SMN1; SMN2
SCHEMBL5150111 0.81 ITGA4 (0.46) ITGA4ITGB1SMN1; SMN2
SCHEMBL5156521 0.81 ITGA4 (0.45) ITGA4ITGB1SMN1; SMN2MEN1KMT2A
SCHEMBL6208148 0.80 ITGA4 (0.45) ITGA4ITGB1SMN1; SMN2MEN1KMT2A
SCHEMBL5152611 0.79 MAPT (0.44) ITGA4ITGB1SMN1; SMN2MEN1KMT2A

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 4 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

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-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.

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