SCHEMBL21979321

SCHEMBL21979321

Cn1cc(-c2ccc(C[C@H](NC(=O)c3c(F)cccc3F)C(=O)O)c3ncccc23)c(=O)n(C)c1=O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 14/20 0.51
ITGB1 P05556 12/20 0.51
ITGB7 P26010 7/20 0.51
ITGB2 P05107 5/20 0.44
ICAM1 P05362 5/20 0.44
ITGAL P20701 5/20 0.44
DGAT2 Q96PD7 1/20 0.36
ITGAV P06756 1/20 0.36
ITGA5 P08648 1/20 0.36
ITGB8 P26012 1/20 0.36

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
SCHEMBL21979323 1.00 ITGA4 (0.51) ITGA4ITGB1ITGB7ITGB2ICAM1
SCHEMBL21978591 0.86 ITGA4 (0.61) ITGA4ITGB1ITGB7ITGB2ICAM1
SCHEMBL21978594 0.86 ITGA4 (0.61) ITGA4ITGB1ITGB7ITGB2ICAM1
SCHEMBL21979078 0.85 ITGB2 (0.45) ITGA4ITGB1ITGB7ITGB2ICAM1
SCHEMBL21979080 0.85 ITGB2 (0.45) ITGA4ITGB1ITGB7ITGB2ICAM1
SCHEMBL30901329 0.85 ITGB2 (0.45) ITGA4ITGB1ITGB7ITGB2ICAM1
SCHEMBL22017283 0.82 ITGB1 (0.45) ITGA4ITGB1ITGB7ITGB2ICAM1
SCHEMBL22017534 0.82 ITGB1 (0.45) ITGA4ITGB1ITGB7ITGB2ICAM1
SCHEMBL21979267 0.80 ITGA4 (0.50) ITGA4ITGB1ITGB7ITGB2ICAM1
SCHEMBL21979265 0.80 ITGA4 (0.50) ITGA4ITGB1ITGB7ITGB2ICAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3873605-B1 COMPOUNDS FOR INHIBITION OF ALPHA4BETA7 INTEGRIN GILEAD SCIENCES INC (US) 2024-10-23 EP disclosed
CN-112969504-B Compounds for inhibiting alpha 4 beta 7 integrin 吉利德科学公司 2024-04-09 CN disclosed
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 US disclosed
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 US disclosed
US-11179383-B2 Compounds for inhibition of α4β7 integrin GILEAD SCIENCES, INC. (US) 2021-11-23 US disclosed
US-11179383-B2 Compounds for inhibition of α4β7 integrin GILEAD SCIENCES, INC. (US) 2021-11-23 US disclosed
EP-3873605-A1 COMPOUNDS FOR INHIBITION OF ALPHA4BETA7 INTEGRIN GILEAD SCIENCES, INC. (US) 2021-09-08 EP disclosed
CN-112969504-A Compounds for inhibiting alpha 4 beta 7 integrins 吉利德科学公司 2021-06-15 CN disclosed
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin GILEAD SCIENCES, INC. 2020-05-28 US disclosed
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin GILEAD SCIENCES, INC. 2020-05-28 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-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin ITGB7, ITGB4, ITGA4 ITGA4 3/4885ITGB1 4/4885ITGB7 1/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 ITGA4 3/4885ITGB1 4/4885ITGB7 1/4885
US-20220152014-A1 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.