SCHEMBL2431340

SCHEMBL2431340

COC(=O)C1CCC(OC(F)(C(=O)Cc2ccc(Nc3nc4ccccc4s3)c(Cl)c2)N2CCCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 8/20 0.53
ITGA4 P13612 8/20 0.53
DHODH Q02127 7/20 0.43
RORC P51449 6/20 0.43
MAPK10 P53779 1/20 0.38
TP53 P04637 3/20 0.37
MAPT P10636 3/20 0.37
OPRK1 P41145 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 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
SCHEMBL2431338 1.00 ITGB1 (0.53) ITGB1ITGA4DHODHRORCMAPK10
SCHEMBL2429216 0.93 ITGB1 (0.61) ITGB1ITGA4DHODHRORC
SCHEMBL2429220 0.93 ITGB1 (0.61) ITGB1ITGA4DHODHRORC
SCHEMBL2433605 0.92 ITGB1 (0.54) ITGB1ITGA4DHODHRORCOPRK1
SCHEMBL2430928 0.92 ITGB1 (0.53) ITGB1ITGA4DHODHRORCOPRK1
SCHEMBL2433608 0.92 ITGB1 (0.54) ITGB1ITGA4DHODHRORCOPRK1
SCHEMBL2430927 0.92 ITGB1 (0.53) ITGB1ITGA4DHODHRORCOPRK1
SCHEMBL2429415 0.92 ITGB1 (0.54) ITGB1ITGA4DHODHRORCOPRK1
SCHEMBL2432313 0.92 ITGB1 (0.54) ITGB1ITGA4MAPTALDH1A1LMNA
SCHEMBL2429414 0.92 ITGB1 (0.54) ITGB1ITGA4DHODHRORCOPRK1

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 4/4885DHODH 4281/4885

“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.