SCHEMBL5152837

SCHEMBL5152837

COc1cc(CC(=O)OC(C)(C)C)ccc1NC(=O)Nc1ccccc1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.54
PPIA P62937 2/20 0.50
LPAR1 Q92633 1/20 0.45
ITGA4 P13612 2/20 0.44
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
ITGB1 P05556 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PKM P14618 1/20 0.44
CHEK1 O14757 2/20 0.44
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL5153634 0.90 MAPT (0.51) LPAR1ITGA4MTNR1AMTNR1BITGB1
SCHEMBL5152592 0.87 BRD4 (0.57) BRD4PPIAITGA4ITGB1MEN1
SCHEMBL5281947 0.86 MAPT (0.50) LPAR1ITGA4MTNR1AMTNR1BITGB1
SCHEMBL6037562 0.85 ITGA4 (0.56) LPAR1ITGA4MTNR1AMTNR1BITGB1
SCHEMBL5152596 0.84 LPAR1 (0.47) LPAR1ITGA4MTNR1AMTNR1BITGB1
SCHEMBL5151950 0.83 MAPT (0.51) LPAR1ITGA4ITGB1MEN1KMT2A
SCHEMBL5152943 0.82 LPAR1 (0.54) LPAR1ITGA4MTNR1AMTNR1BITGB1
SCHEMBL5153172 0.79 LPAR1 (0.47) LPAR1ITGA4MTNR1AMTNR1BITGB1
SCHEMBL5151619 0.78 MAPT (0.57) ITGA4ITGB1MEN1KMT2ANPC1
SCHEMBL5156758 0.77 RAB9A (0.50) ITGA4ITGB1MEN1KMT2ANPC1

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 BRD4 1108/4885PPIA 1806/4885LPAR1 125/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 BRD4 981/4885PPIA 2027/4885LPAR1 123/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 BRD4 1063/4885PPIA 1525/4885LPAR1 134/4885

“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.