SCHEMBL2431349

SCHEMBL2431349

O=C(O)Cc1cc(Cl)c(NC(=O)c2nsc3ccccc23)cc1F

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.58
ITGA4 P13612 2/20 0.58
MAPT P10636 11/20 0.53
POLB P06746 1/20 0.50
TP53 P04637 7/20 0.48
LMNA P02545 5/20 0.48
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL14626739 0.91 ITGB1 (0.55) ITGB1ITGA4MAPTPOLBTP53
SCHEMBL14591879 0.89 ITGB1 (0.54) ITGB1ITGA4MAPTPOLBTP53
SCHEMBL2437969 0.87 ITGB1 (0.46) ITGB1ITGA4MAPTPOLBTP53
SCHEMBL92550 0.83 MAPT (0.59) MAPTPOLBTP53LMNA
SCHEMBL2430930 0.82 ITGB1 (0.55) ITGB1ITGA4MAPTPOLBTP53
SCHEMBL2432131 0.81 EPHB3 (0.60) ITGB1ITGA4
SCHEMBL12327296 0.80 ITGA4 (0.70) ITGB1ITGA4MAPTTP53
SCHEMBL71627 0.80 HDAC3 (0.45) ITGB1ITGA4MAPTPOLBTP53
SCHEMBL2433943 0.79 MAPT (0.48) ITGB1ITGA4MAPTPOLBTP53
SCHEMBL2440170 0.79 ITGB1 (0.58) ITGB1ITGA4MAPTTP53

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 EP disclosed
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 EP disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 US disclosed
EP-1346982-A1 VLA-4 INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 EP 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-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 ITGB1 5/4885ITGA4 4/4885MAPT 4631/4885

“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.