SCHEMBL6401233

SCHEMBL6401233

Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 4/20 0.58
ITGA4 P13612 2/20 0.58
ITGA2 P17301 1/20 0.58
FKBP1A P62942 1/20 0.52
MAPK1 P28482 2/20 0.51
TSHR P16473 2/20 0.51
RAB9A P51151 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.49
ITGA5 P08648 3/20 0.48
ITGB3 P05106 1/20 0.48
ITGAV P06756 1/20 0.48
MMP1 P03956 1/20 0.47
MMP9 P14780 1/20 0.47
MMP13 P45452 1/20 0.47
MAPT P10636 1/20 0.47
POLB P06746 1/20 0.46
USP2 O75604 1/20 0.46

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
SCHEMBL6151068 1.00 ITGB1 (0.58) ITGB1ITGA4ITGA2FKBP1AMAPK1
SCHEMBL8248902 0.90 ITGB1 (0.51) ITGB1ITGA4ITGA2ITGA5ITGB3
SCHEMBL4259952 0.90 ITGB1 (0.51) ITGB1ITGA4ITGA2ITGA5ITGB3
SCHEMBL5491587 0.89 FKBP1A (0.54) ITGB1ITGA4ITGA2FKBP1AMAPK1
SCHEMBL5495223 0.89 FKBP1A (0.54) ITGB1ITGA4ITGA2FKBP1AMAPK1
SCHEMBL5496781 0.87 ITGA4 (0.56) ITGB1ITGA4ITGA2FKBP1AMAPK1
SCHEMBL6406608 0.86 ITGB1 (0.57) ITGB1ITGA4ITGA2
SCHEMBL6406612 0.86 ITGB1 (0.57) ITGB1ITGA4ITGA2
SCHEMBL5499020 0.85 ITGA4 (0.56) ITGB1ITGA4ITGA2FKBP1AMAPK1
SCHEMBL5488891 0.85 FKBP1A (0.51) ITGB1ITGA4ITGA2FKBP1AMAPK1

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-20050143391-A1 Heterocyclic amides with alpha-4 integrin antagonist activity J. Uriach Y Compañia S.A. (ES) 2005-06-30 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-20050143391-A1 Heterocyclic amides with alpha-4 integrin antagonist activity ITGB4, ITGA4, ITGA1 ITGB1 4/4885ITGA4 2/4885ITGA2 7/4885

“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.