SCHEMBL5160282

SCHEMBL5160282

Cc1cccc(Cl)c1C(=O)N[C@@H](Cc1ccc(-c2c(C)n(C)c(=O)n(C)c2=O)cc1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 1.00
ITGA4 P13612 20/20 1.00
ITGB7 P26010 20/20 1.00

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
SCHEMBL18589274 1.00 ITGB1 (1.00) ITGB1ITGA4ITGB7
SCHEMBL5164089 0.95 ITGB1 (1.00) ITGB1ITGA4ITGB7
SCHEMBL18068322 0.95 ITGB1 (1.00) ITGB1ITGA4ITGB7
SCHEMBL5162788 0.91 ITGA4 (1.00) ITGB1ITGA4ITGB7
SCHEMBL5159929 0.90 ITGB1 (0.82) ITGB1ITGA4ITGB7
SCHEMBL5162580 0.89 ITGB1 (0.83) ITGB1ITGA4ITGB7
SCHEMBL5159916 0.89 ITGB1 (0.80) ITGB1ITGA4ITGB7
SCHEMBL18607967 0.89 ITGB1 (0.80) ITGB1ITGA4ITGB7
SCHEMBL5163338 0.89 ITGB1 (1.00) ITGB1ITGA4ITGB7
SCHEMBL5162535 0.89 ITGA4 (0.89) ITGB1ITGA4ITGB7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1237878-B1 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES HOFFMANN LA ROCHE (CH) 2007-03-21 EP claimed
EP-1237878-A2 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES F. HOFFMANN-LA ROCHE AG (CH) 2002-09-11 EP claimed
US-6380387-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS HOFFMANN-LA ROCHE INC. 2002-04-30 US claimed
WO-2001042225-A2 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES F. HOFFMANN-LA ROCHE AG (CH) 2001-06-14 WO claimed
US-11964987-B2 Isoidide derivatives and methods of making and using same RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2024-04-23 US disclosed
US-20210002291-A1 ISOIDIDE DERIVATIVES AND METHODS OF MAKING AND USING SAME RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2021-01-07 US disclosed
US-10815244-B2 Isoidide derivatives and methods of making and using same RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-10-27 US disclosed
US-20170066778-A1 SOLUBILITY FOR TARGET COMPOUNDS Aunova Medchem LLC (US) 2017-03-09 US disclosed
US-20170066778-A1 SOLUBILITY FOR TARGET COMPOUNDS Aunova Medchem LLC (US) 2017-03-09 US disclosed
WO-2017040459-A1 IMPROVED SOLUBILITY FOR TARGET COMPOUNDS Aunova Medchem LLC (US) 2017-03-09 WO disclosed
WO-2017040459-A1 IMPROVED SOLUBILITY FOR TARGET COMPOUNDS Aunova Medchem LLC (US) 2017-03-09 WO disclosed
EP-1237878-B1 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES HOFFMANN LA ROCHE (CH) 2007-03-21 EP disclosed
EP-1237878-B1 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES HOFFMANN LA ROCHE (CH) 2007-03-21 EP disclosed
EP-1237878-A2 4-PYRIMIDINYL-N-ACYL-L-PHENYLALANINES F. HOFFMANN-LA ROCHE AG (CH) 2002-09-11 EP disclosed
US-6380387-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS HOFFMANN-LA ROCHE INC. 2002-04-30 US disclosed
WO-2001042225-A2 4-PYRIMIDINYL-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-11964987-B2 Isoidide derivatives and methods of making and using same MIF, ITGB7, ITGB4 ITGB1 17/4885ITGA4 5/4885ITGB7 2/4885
US-10815244-B2 Isoidide derivatives and methods of making and using same MIF, ITGB7, ITGB4 ITGB1 17/4885ITGA4 5/4885ITGB7 2/4885
US-20210002291-A1 ISOIDIDE DERIVATIVES AND METHODS OF MAKING AND USING SAME MIF, ITGB7, ITGB4 ITGB1 17/4885ITGA4 5/4885ITGB7 2/4885
US-20170066778-A1 SOLUBILITY FOR TARGET COMPOUNDS MIF, ITGB7, ITGB4 ITGB1 10/4885ITGA4 4/4885ITGB7 2/4885

“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.