SCHEMBL5151912

SCHEMBL5151912

COC(=O)c1ccc(N(C)C(C(=O)Cc2ccc(NC(=O)Nc3ccccc3C)c(OC)c2)C2CCCN2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 10/20 0.46
▸ ITGB1 P05556 8/20 0.46
▸ MAPT P10636 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ POLB P06746 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ P2RX7 Q99572 1/20 0.36

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
SCHEMBL5157221 0.94 ITGA4 (0.48) ITGA4ITGB1SMN1; SMN2CHEK1
SCHEMBL5153126 0.85 ITGA4 (0.48) ITGA4ITGB1MAPTRAB9ANPC1
SCHEMBL5151749 0.83 ITGA4 (0.43) ITGA4ITGB1MAPTCHEK1MEN1
SCHEMBL6544086 0.81 PYGL (0.40) ITGA4ITGB1MAPTRAB9ANPC1
SCHEMBL5182974 0.80 ITGA4 (0.42) ITGA4ITGB1MAPTRAB9ANPC1
SCHEMBL5149792 0.80 MEN1 (0.41) ITGA4MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL5151670 0.79 ITGA4 (0.52) ITGA4ITGB1SMN1; SMN2MEN1KMT2A
SCHEMBL6273679 0.79 ITGA4 (0.47) ITGA4ITGB1SMN1; SMN2MEN1KMT2A
SCHEMBL6208698 0.78 ITGA4 (0.46) ITGA4ITGB1RAB9ASMN1; SMN2
SCHEMBL5150111 0.78 ITGA4 (0.46) ITGA4ITGB1RAB9ASMN1; 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 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 7/4885MAPT 3229/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 ITGA4 4/4885ITGB1 8/4885MAPT 3296/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 ITGA4 5/4885ITGB1 7/4885MAPT 3414/4885

“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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