SCHEMBL5162137

SCHEMBL5162137

CCOC(=O)[C@H](Cc1ccc(-c2c(C)n(C)c(=O)n(C)c2=O)cc1)NC(=O)c1c(F)cccc1F

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.81
ITGA4 P13612 20/20 0.81
ITGB7 P26010 20/20 0.81

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
SCHEMBL5160746 0.90 ITGB1 (0.71) ITGB1ITGA4ITGB7
SCHEMBL24946050 0.90 ITGA4 (1.00) ITGB1ITGA4ITGB7
SCHEMBL5165004 0.90 ITGA4 (1.00) ITGB1ITGA4ITGB7
SCHEMBL5162530 0.89 ITGA4 (0.81) ITGB1ITGA4ITGB7
SCHEMBL5162619 0.88 ITGB1 (0.73) ITGB1ITGA4ITGB7
SCHEMBL5159929 0.86 ITGB1 (0.82) ITGB1ITGA4ITGB7
SCHEMBL15139762 0.84 ITGB1 (0.63) ITGB1ITGA4ITGB7
SCHEMBL15139760 0.84 ITGB1 (0.63) ITGB1ITGA4ITGB7
SCHEMBL15149417 0.84 ITGB1 (0.62) ITGB1ITGA4ITGB7
SCHEMBL15139900 0.84 ITGB1 (0.62) 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 12 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-20230033021-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH AN INTEGRIN INHIBITOR GLAS USA LLC 2023-02-02 US disclosed
US-20230009902-A1 TREATMENT OF A DISEASE OR CONDITION IN A TISSUE ORGINATING FROM THE ENDODERM GLAS USA LLC 2023-01-12 US disclosed
US-20200323772-A1 TREATMENT OF INFLAMMATORY DISEASE USING INGESTIBLE DEVICE TO RELEASE IMMUNE MODULATOR BT BIDCO LLC 2020-10-15 US 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 (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-20230033021-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH AN INTEGRIN INHIBITOR ITGAL, ITGB2, ITGB1 ITGB1 3/4885ITGA4 17/4885ITGB7 20/4885
US-20230009902-A1 TREATMENT OF A DISEASE OR CONDITION IN A TISSUE ORGINATING FROM THE ENDODERM ALPG, ALPP, FABP2 ITGB1 1794/4885ITGA4 1529/4885ITGB7 1802/4885
US-20200323772-A1 TREATMENT OF INFLAMMATORY DISEASE USING INGESTIBLE DEVICE TO RELEASE IMMUNE MODULATOR LRBA, CD47, FABP2 ITGB1 706/4885ITGA4 546/4885ITGB7 1170/4885

“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.