SCHEMBL7089784

SCHEMBL7089784

CC(C)C(=O)OC1CN2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)C2(Cc2ccc(Br)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 20/20 0.46
ITGB2 P05107 19/20 0.46
ICAM1 P05362 19/20 0.46

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
SCHEMBL4840098 0.90 ITGAL (0.48) ITGALITGB2ICAM1
SCHEMBL6491566 0.83 ITGAL (0.48) ITGALITGB2ICAM1
SCHEMBL4840120 0.81 ITGAL (0.52) ITGALITGB2ICAM1
SCHEMBL4847894 0.81 ITGAL (0.52) ITGALITGB2ICAM1
SCHEMBL4849061 0.81 ITGAL (0.52) ITGALITGB2ICAM1
SCHEMBL4848534 0.80 ITGAL (0.46) ITGALITGB2ICAM1
SCHEMBL4848413 0.79 ITGAL (0.48) ITGALITGB2ICAM1
SCHEMBL6478538 0.79 ITGAL (0.48) ITGALITGB2ICAM1
SCHEMBL6478278 0.79 ITGAL (0.52) ITGALITGB2ICAM1
SCHEMBL4847332 0.79 ITGAL (0.52) ITGALITGB2ICAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030232817-A1 Small molecules useful for the treatment of inflammatory disease BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-12-18 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 (1 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-20030232817-A1 Small molecules useful for the treatment of inflammatory disease CD74, MSR1, SERPINB1 ITGAL 1400/4885ITGB2 531/4885ICAM1 7/4885

“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.