SCHEMBL21979352

SCHEMBL21979352

CC[C@@H](Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(-c3c(C)cc(C)n(C)c3=O)c3ccccc23)C(=O)O)c(F)c1)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 17/20 0.48
ITGA4 P13612 17/20 0.48
ITGB7 P26010 15/20 0.48
ITGB2 P05107 3/20 0.39
ICAM1 P05362 3/20 0.39
ITGAL P20701 3/20 0.39

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
SCHEMBL21979355 1.00 ITGB1 (0.48) ITGB1ITGA4ITGB7ITGB2ICAM1
SCHEMBL29671132 0.94 ITGB1 (0.41) ITGB1ITGA4ITGB7ITGB2ICAM1
SCHEMBL22031429 0.94 ITGB1 (0.41) ITGB1ITGA4ITGB7ITGB2ICAM1
SCHEMBL21979210 0.93 ITGA4 (0.54) ITGB1ITGA4ITGB7ITGB2ICAM1
SCHEMBL21979211 0.93 ITGA4 (0.54) ITGB1ITGA4ITGB7ITGB2ICAM1
SCHEMBL21978965 0.91 ITGB1 (0.44) ITGB1ITGA4ITGB7ITGB2ICAM1
SCHEMBL21979042 0.91 ITGB1 (0.44) ITGB1ITGA4ITGB7ITGB2ICAM1
SCHEMBL22016403 0.91 ITGB1 (0.44) ITGB1ITGA4ITGB7ITGB2ICAM1
SCHEMBL22017226 0.91 ITGB1 (0.44) ITGB1ITGA4ITGB7ITGB2ICAM1
SCHEMBL21978670 0.90 ITGB1 (0.51) ITGB1ITGA4ITGB7ITGB2ICAM1

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 8 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
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
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 ITGB1 4/4885ITGA4 3/4885ITGB7 1/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 ITGB1 4/4885ITGA4 3/4885ITGB7 1/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 ITGB1 4/4885ITGA4 3/4885ITGB7 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.