SCHEMBL2433946

SCHEMBL2433946

CCn1cc(C(=O)Nc2ccc(CC(=O)C(F)(O[C@H]3CC[C@H](C(=O)OC)CC3)N3CCCC3)cc2Cl)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 11/20 0.57
ITGA4 P13612 11/20 0.57
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
CREBBP Q92793 2/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.37
CNR2 P34972 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
SCHEMBL2433948 1.00 ITGB1 (0.57) ITGB1ITGA4HCRTR1HCRTR2CREBBP
SCHEMBL2434117 0.94 ITGB1 (0.53) ITGB1ITGA4CREBBPHDAC1HDAC6
SCHEMBL2434114 0.94 ITGB1 (0.53) ITGB1ITGA4CREBBPHDAC1HDAC6
SCHEMBL2432807 0.94 ITGB1 (0.65) ITGB1ITGA4HCRTR1HCRTR2HDAC1
SCHEMBL2432811 0.94 ITGB1 (0.65) ITGB1ITGA4HCRTR1HCRTR2HDAC1
SCHEMBL2433766 0.93 ITGB1 (0.54) ITGB1ITGA4HDAC1HDAC6POLB
SCHEMBL2434173 0.91 ITGB1 (0.47) ITGB1ITGA4CREBBP
SCHEMBL2434174 0.91 ITGB1 (0.47) ITGB1ITGA4CREBBP
SCHEMBL2429445 0.88 ITGB1 (0.58) ITGB1ITGA4HDAC1HDAC6KMT2A
SCHEMBL2429448 0.88 ITGB1 (0.58) ITGB1ITGA4HDAC1HDAC6KMT2A

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 4 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
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 4/4885HCRTR1 2162/4885

“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.