SCHEMBL6400256

SCHEMBL6400256

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

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
HPGD P15428 1/20 0.58
ITGB1 P05556 3/20 0.58
ITGA5 P08648 2/20 0.58
ITGA4 P13612 2/20 0.57
FKBP1A P62942 1/20 0.57
ITGA2 P17301 1/20 0.56
L3MBTL1 Q9Y468 3/20 0.55
MAPK1 P28482 2/20 0.55
PLAU P00749 1/20 0.55
HPN P05981 1/20 0.55
TSHR P16473 2/20 0.53
POLB P06746 1/20 0.53
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
USP2 O75604 1/20 0.53
RAB9A P51151 1/20 0.52
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL6400260 1.00 GAA (0.58) GAAHPGDITGB1ITGA5ITGA4
SCHEMBL6710949 0.91 GAA (0.60) GAAHPGDITGB1ITGA5ITGA4
SCHEMBL19426733 0.90 ITGB1 (0.69) GAAITGB1ITGA5ITGA4FKBP1A
SCHEMBL20975486 0.90 ITGB1 (0.69) GAAITGB1ITGA5ITGA4FKBP1A
SCHEMBL20975485 0.90 ITGB1 (0.69) GAAITGB1ITGA5ITGA4FKBP1A
SCHEMBL8249123 0.90 ITGB1 (0.69) GAAITGB1ITGA5ITGA4FKBP1A
SCHEMBL19412234 0.90 ITGB1 (0.69) GAAITGB1ITGA5ITGA4FKBP1A
SCHEMBL5488119 0.89 GAA (0.56) GAAHPGDITGB1ITGA5ITGA4
SCHEMBL6157865 0.89 MAPK1 (0.57) GAAHPGDITGA4FKBP1AL3MBTL1
SCHEMBL6157875 0.89 MAPK1 (0.57) GAAHPGDITGA4FKBP1AL3MBTL1

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 GAA 2218/4885HPGD 1642/4885ITGB1 4/4885

“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.