SCHEMBL5153141

SCHEMBL5153141

COC(=O)c1ccc(OCCNCC(=O)Cc2ccc(NC(=O)Nc3ccccc3C)c(OC)c2)c(N(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 8/20 0.43
▸ ITGB1 P05556 6/20 0.43
▸ MAPT P10636 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CHEK1 O14757 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ PYGL P06737 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
SCHEMBL5157271 0.94 ITGA4 (0.48) ITGA4ITGB1MEN1KMT2ASMN1; SMN2
SCHEMBL5149692 0.93 ITGA4 (0.45) ITGA4ITGB1MAPTRAB9ANPC1
SCHEMBL5150099 0.92 PYGL (0.44) ITGA4MAPTRAB9ANPC1MEN1
SCHEMBL5156825 0.91 RAB9A (0.51) ITGA4ITGB1MAPTRAB9ANPC1
SCHEMBL5152565 0.90 ITGA4 (0.45) ITGA4ITGB1MAPTRAB9ANPC1
SCHEMBL5152812 0.89 ITGA4 (0.46) ITGA4ITGB1MAPTRAB9ANPC1
SCHEMBL5150069 0.89 ITGA4 (0.44) ITGA4ITGB1MAPTRAB9ANPC1
SCHEMBL5150234 0.87 ITGA4 (0.51) ITGA4ITGB1MAPTRAB9ANPC1
SCHEMBL5152215 0.87 ITGA4 (0.46) ITGA4ITGB1MAPTRAB9ANPC1
SCHEMBL5156508 0.86 ITGA4 (0.46) ITGA4ITGB1MEN1KMT2ASMN1; 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 7/4885MAPT 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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