SCHEMBL21955166

SCHEMBL21955166

Cn1c(=O)c(-c2ccc(CC(NC(=O)c3c(F)cc(N4CCOC[C@@H]4C(F)(F)F)cc3F)C(=O)O)c3c2COC3)cc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 9/20 0.33
ITGB1 P05556 7/20 0.32
ITGB7 P26010 5/20 0.32
MMP1 P03956 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 3/20 0.31
PIK3C3 Q8NEB9 2/20 0.30
ITGB2 P05107 1/20 0.30
ICAM1 P05362 1/20 0.30
ITGAL P20701 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
SCHEMBL21955164 1.00 ITGA4 (0.33) ITGA4ITGB1ITGB7MMP1MMP3
SCHEMBL21955169 1.00 ITGA4 (0.33) ITGA4ITGB1ITGB7MMP1MMP3
SCHEMBL22016564 0.94 CNR2 (0.35) NPSR1
SCHEMBL22016857 0.92 ROCK2 (0.31)
SCHEMBL21955284 0.90 ITGA4 (0.31) ITGA4ITGB1ITGB7NPSR1
SCHEMBL21955281 0.90 ITGA4 (0.31) ITGA4ITGB1ITGB7NPSR1
SCHEMBL21955283 0.90 ITGA4 (0.31) ITGA4ITGB1ITGB7NPSR1
SCHEMBL22017195 0.89 ROCK2 (0.30) ITGA4ITGB1
SCHEMBL21957250 0.88 ITGB1 (0.33) ITGA4ITGB1MAPK1PIK3C3ITGB2
SCHEMBL21957252 0.88 ITGB1 (0.33) ITGA4ITGB1MAPK1PIK3C3ITGB2

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
US-20220226337-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. 2022-07-21 US disclosed
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin GILEAD SCIENCES, INC. (US) 2022-01-18 US disclosed
CN-112996786-A Compounds for inhibiting alpha 4 beta 7 integrins 吉利德科学公司 2021-06-18 CN disclosed
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. 2020-05-21 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 (3 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-20220226337-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 ITGA4 3/4885ITGB1 4/4885ITGB7 1/4885
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 ITGA4 3/4885ITGB1 4/4885ITGB7 1/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 ITGA4 3/4885ITGB1 4/4885ITGB7 1/4885

“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.