SCHEMBL5362146

SCHEMBL5362146

O=C(Cc1ccc(Nc2nc3cc(F)ccc3s2)c(Cl)c1)C(F)(O[C@H]1CC[C@H](C(=O)O)CC1)N1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 15/20 0.62
ITGA4 P13612 15/20 0.62
TRPV1 Q8NER1 1/20 0.38
DGAT1 O75907 1/20 0.35
RIPK1 Q13546 1/20 0.34
RIPK3 Q9Y572 1/20 0.34
RORC P51449 1/20 0.34
DHODH Q02127 1/20 0.34

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
SCHEMBL5362157 1.00 ITGB1 (0.62) ITGB1ITGA4TRPV1DGAT1RIPK1
SCHEMBL2430247 0.94 ITGB1 (0.62) ITGB1ITGA4TRPV1DGAT1RIPK1
SCHEMBL2430244 0.94 ITGB1 (0.62) ITGB1ITGA4TRPV1DGAT1RIPK1
SCHEMBL2429414 0.93 ITGB1 (0.54) ITGB1ITGA4TRPV1RORCDHODH
SCHEMBL2429415 0.93 ITGB1 (0.54) ITGB1ITGA4TRPV1RORCDHODH
SCHEMBL2429220 0.91 ITGB1 (0.61) ITGB1ITGA4RORCDHODH
SCHEMBL2429216 0.91 ITGB1 (0.61) ITGB1ITGA4RORCDHODH
SCHEMBL2437128 0.90 ITGB1 (0.62) ITGB1ITGA4TRPV1DGAT1RORC
SCHEMBL2437130 0.90 ITGB1 (0.62) ITGB1ITGA4TRPV1DGAT1RORC
SCHEMBL2437593 0.89 ITGB1 (0.61) ITGB1ITGA4RIPK1RIPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 4/4885TRPV1 762/4885

“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.