SCHEMBL5152402

SCHEMBL5152402

COC(=O)c1ccc(OC[C@@H]2C[C@H](NS(=O)(=O)c3ccc4ccccc4c3)CN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
PLAU P00749 1/20 0.44
ACACB O00763 1/20 0.42
NR1H2 P55055 13/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NR1H3 Q13133 2/20 0.39
KAT6A Q92794 1/20 0.39

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
SCHEMBL5156677 0.84 MAPT (0.38) NR1H2
SCHEMBL6208891 0.81 MCL1 (0.39) NR1H2
SCHEMBL5153528 0.81 MCL1 (0.39) NR1H2
SCHEMBL2435434 0.81 MCL1 (0.39) NR1H2
SCHEMBL14569638 0.80 ITGA4 (0.43) KAT6A
SCHEMBL5186551 0.80 HTR4 (0.39)
SCHEMBL14558015 0.78 ITGA4 (0.43)
SCHEMBL30476477 0.78 ACACB (0.44) ACACBNR1H2L3MBTL1NR1H3
SCHEMBL6543115 0.77 CYP1A2 (0.44) POLB
SCHEMBL5149679 0.77 MAPT (0.43)

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 2 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-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 (1 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 POLB 4449/4885PLAU 1652/4885ACACB 2120/4885

“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.