SCHEMBL2430928

SCHEMBL2430928

COC(=O)C1CCC(OC(F)(C(=O)Cc2ccc(Nc3nc4ccc(Cl)cc4s3)c(Cl)c2)N2CCCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 6/20 0.53
ITGA4 P13612 6/20 0.53
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
CSNK1D P48730 5/20 0.38
RIPK1 Q13546 1/20 0.38
RIPK3 Q9Y572 1/20 0.38
CNR2 P34972 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CLK1 P49759 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SSTR5 P35346 1/20 0.37
OPRK1 P41145 1/20 0.37
RORC P51449 1/20 0.37
DHODH Q02127 1/20 0.37
PPARG P37231 1/20 0.36

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
SCHEMBL2430927 1.00 ITGB1 (0.53) ITGB1ITGA4CASP3SENP8SENP7
SCHEMBL2433608 0.94 ITGB1 (0.54) ITGB1ITGA4CSNK1DRIPK1RIPK3
SCHEMBL2433605 0.94 ITGB1 (0.54) ITGB1ITGA4CSNK1DRIPK1RIPK3
SCHEMBL2432313 0.94 ITGB1 (0.54) ITGB1ITGA4CSNK1DRIPK1RIPK3
SCHEMBL2432311 0.94 ITGB1 (0.54) ITGB1ITGA4CSNK1DRIPK1RIPK3
SCHEMBL2437593 0.93 ITGB1 (0.61) ITGB1ITGA4CASP3SENP8SENP7
SCHEMBL2437591 0.93 ITGB1 (0.61) ITGB1ITGA4CASP3SENP8SENP7
SCHEMBL2431340 0.92 ITGB1 (0.53) ITGB1ITGA4ALDH1A1OPRK1RORC
SCHEMBL2431338 0.92 ITGB1 (0.53) ITGB1ITGA4ALDH1A1OPRK1RORC
SCHEMBL2429415 0.90 ITGB1 (0.54) ITGB1ITGA4ALDH1A1CLK1OPRK1

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 4/4885CASP3 3381/4885

“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.