SCHEMBL6038309

SCHEMBL6038309

CC(C)OC(=O)[C@H](Cc1ccc(OC(=O)N(C)C)cc1)N(C(=O)[C@H]1NC(C)(C)CS1)S(=O)(=O)c1cccnc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 6/20 0.36
ITGA4 P13612 6/20 0.36
KEAP1 Q14145 2/20 0.33
NFE2L2 Q16236 2/20 0.33
PTGER2 P43116 2/20 0.32
ALDH1A1 P00352 3/20 0.32
GPR119 Q8TDV5 1/20 0.31
MAPT P10636 1/20 0.31
MMP9 P14780 2/20 0.30
MMP2 P08253 1/20 0.30

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
SCHEMBL3850595 0.92 ITGB1 (0.37) ITGB1ITGA4KEAP1NFE2L2ALDH1A1
SCHEMBL3855712 0.91 ITGB1 (0.35) ITGB1ITGA4MAPTMMP9MMP2
SCHEMBL3858699 0.91 ITGB1 (0.41) ITGB1ITGA4KEAP1NFE2L2ALDH1A1
SCHEMBL3850610 0.91 ITGB1 (0.36) ITGB1ITGA4KEAP1NFE2L2PTGER2
SCHEMBL3852799 0.90 ITGB1 (0.35) ITGB1ITGA4KEAP1NFE2L2PTGER2
SCHEMBL3855779 0.90 ITGB1 (0.35) ITGB1ITGA4KEAP1NFE2L2ALDH1A1
SCHEMBL3855348 0.88 MMP2 (0.33) MMP9MMP2
SCHEMBL3859229 0.88 KEAP1 (0.33) KEAP1NFE2L2ALDH1A1MMP9MMP2
SCHEMBL3852976 0.87 MAPT (0.32) MAPT
SCHEMBL3852543 0.87 HTR1A (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060004019-A1 Steroid sparing agents and methods of using same BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2006-01-05 US 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-20060004019-A1 Steroid sparing agents and methods of using same IL5, FCER2, CD40 ITGB1 305/4885ITGA4 298/4885KEAP1 1657/4885

“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.