SCHEMBL6237768

SCHEMBL6237768

COC(=O)[C@@H](N)Cc1ccc(-c2c(C(F)(F)F)cc(C)n(C)c2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 16/20 0.58
ITGA4 P13612 16/20 0.58
ITGB7 P26010 16/20 0.58
ALDH1A1 P00352 1/20 0.38
PTGS2 P35354 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
SCHEMBL27504636 1.00 ITGB1 (0.58) ITGB1ITGA4ITGB7ALDH1A1PTGS2
Hydrochloric Acid SCHEMBL6292502 0.99 ITGB1 (0.57) ITGB1ITGA4ITGB7ALDH1A1PTGS2
Hydrochloric Acid SCHEMBL6237763 0.99 ITGB1 (0.57) ITGB1ITGA4ITGB7ALDH1A1PTGS2
SCHEMBL22982364 0.88 ITGB1 (0.63) ITGB1ITGA4ITGB7
SCHEMBL6297453 0.88 ITGB1 (0.63) ITGB1ITGA4ITGB7
SCHEMBL22996698 0.88 ITGB1 (0.45) ITGB1ITGA4ITGB7ALDH1A1PTGS2
SCHEMBL22996662 0.87 ITGB1 (0.45) ITGB1ITGA4ITGB7ALDH1A1PTGS2
SCHEMBL22996759 0.86 ITGB1 (0.43) ITGB1ITGA4ITGB7ALDH1A1PTGS2
SCHEMBL27486748 0.83 ITGA4 (0.57) ITGB1ITGA4ITGB7ALDH1A1
SCHEMBL6239532 0.83 ITGA4 (0.57) ITGB1ITGA4ITGB7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11578069-B2 Compounds for inhibition of α4 β7 integrin GILEAD SCIENCES, INC. (US) 2023-02-14 US disclosed
US-11578069-B2 Compounds for inhibition of α4 β7 integrin GILEAD SCIENCES, INC. (US) 2023-02-14 US disclosed
EP-4013499-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-06-22 EP disclosed
US-20210053967-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. 2021-02-25 US disclosed
WO-2021030438-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2021-02-18 WO disclosed
US-6916933-B2 4-pyridinyl-n-acyl-l-phenylalanines HOFFMAN-LA ROCHE INC. (US) 2005-07-12 US disclosed
EP-1244625-B1 4-PYRIDINYL-N-ACYL-L-PHENYLALANINES HOFFMANN LA ROCHE (CH) 2005-06-15 EP disclosed
CN-1196682-C 4-pyridyl-N-acyl-L-phenylalanine HOFFMANN LA ROCHE (CH) 2005-04-13 CN disclosed
US-20040127706-A1 4-Pyridinyl-n-acyl-l-phenylalanines KAPLAN GERALD LEWIS (US) 2004-07-01 US disclosed
CN-1402709-A 4-pyridinyl-N-acyl-L-phenylalanines HOFFMANN LA ROCHE (CH) 2003-03-12 CN disclosed
EP-1244625-A1 4-PYRIDINYL-N-ACYL-L-PHENYLALANINES F. HOFFMANN-LA ROCHE AG (CH) 2002-10-02 EP disclosed
US-20020133015-A1 4-pyridinyl-N-acyl-L-phenylalanines KAPLAN GERALD LEWIS (US) 2002-09-19 US disclosed
US-6388084-B1 4-pyridinyl-n-acyl-l-phenylalanines HOFFMANN-LA ROCHE INC. 2002-05-14 US disclosed
WO-2001042215-A1 4-PYRIDINYL-N-ACYL-L-PHENYLALANINES F. HOFFMANN-LA ROCHE AG (CH) 2001-06-14 WO 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 (4 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-20040127706-A1 4-Pyridinyl-n-acyl-l-phenylalanines VCAM1, ICAM1, SELPLG ITGB1 13/4885ITGA4 8/4885ITGB7 99/4885
US-11578069-B2 Compounds for inhibition of α4 β7 integrin ITGB7, ITGB4, ITGA4 ITGB1 4/4885ITGA4 3/4885ITGB7 1/4885
US-20210053967-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 ITGB1 4/4885ITGA4 3/4885ITGB7 1/4885
US-20020133015-A1 4-pyridinyl-N-acyl-L-phenylalanines VCAM1, ICAM1, SELPLG ITGB1 13/4885ITGA4 8/4885ITGB7 99/4885

“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.