SCHEMBL2440170

SCHEMBL2440170

O=C(O)Cc1cc(Cl)c(NC(=O)c2nccc3ccccc23)cc1F

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 5/20 0.58
ITGA4 P13612 5/20 0.58
RAB9A P51151 2/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.43
TP53 P04637 2/20 0.43
TSHR P16473 1/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.39
FLT3 P36888 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CTSA P10619 1/20 0.38

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
SCHEMBL14626747 0.91 ITGB1 (0.55) ITGB1ITGA4RAB9AMEN1KMT2A
SCHEMBL14591890 0.89 ITGB1 (0.54) ITGB1ITGA4RAB9AMEN1KMT2A
SCHEMBL12327682 0.87 ITGB1 (0.51) ITGB1ITGA4RAB9AMEN1KMT2A
SCHEMBL14491705 0.86 ITGB1 (0.55) ITGB1ITGA4RAB9AMEN1KMT2A
SCHEMBL91533 0.83 ITGB1 (0.47) ITGB1ITGA4RAB9AMEN1KMT2A
SCHEMBL2429149 0.82 ITGB1 (0.55) ITGB1ITGA4RAB9AMEN1KMT2A
SCHEMBL2432847 0.79 ITGB1 (0.46) ITGB1ITGA4RAB9AMEN1KMT2A
SCHEMBL2431349 0.79 ITGB1 (0.58) ITGB1ITGA4MAPTTP53
SCHEMBL2432131 0.79 EPHB3 (0.60) ITGB1ITGA4RAB9AMEN1KMT2A
SCHEMBL2432426 0.79 HIF1A (0.60) ITGB1ITGA4

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 9 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-20070149606-A1 Process for producing phenylacetic acid derivative DAIICHI PHARMACEUTICAL CO.,LTD. (JP) 2007-06-28 US disclosed
US-20070149606-A1 Process for producing phenylacetic acid derivative DAIICHI PHARMACEUTICAL CO.,LTD. (JP) 2007-06-28 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-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 (2 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 4/4885RAB9A 2530/4885
US-20070149606-A1 Process for producing phenylacetic acid derivative UGT1A4, VPS4B, CYP3A4 ITGB1 1987/4885ITGA4 106/4885RAB9A 3214/4885

“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.