SCHEMBL4638112

SCHEMBL4638112

O=C1C(c2cc(Cl)cc(Cl)c2)=C(O)C2(Cc3ccc(Br)cc3)CC(O)CN12

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 19/20 0.36
ITGB2 P05107 18/20 0.36
ICAM1 P05362 18/20 0.36
S1PR1 P21453 1/20 0.32
S1PR5 Q9H228 1/20 0.32

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
SCHEMBL4638373 1.00 ITGAL (0.36) ITGALITGB2ICAM1S1PR1S1PR5
SCHEMBL4849625 0.87 ITGAL (0.38) ITGALITGB2ICAM1
SCHEMBL4849619 0.87 ITGAL (0.38) ITGALITGB2ICAM1
SCHEMBL4797185 0.87 ITGAL (0.38) ITGALITGB2ICAM1
SCHEMBL4637419 0.84 ITGAL (0.36) ITGALITGB2ICAM1S1PR1S1PR5
SCHEMBL4909886 0.84 ITGAL (0.36) ITGALITGB2ICAM1S1PR1S1PR5
SCHEMBL4637415 0.84 ITGAL (0.36) ITGALITGB2ICAM1S1PR1S1PR5
SCHEMBL4638944 0.81 ITGAL (0.33) ITGALITGB2ICAM1
SCHEMBL4913351 0.81 ITGAL (0.33) ITGALITGB2ICAM1
SCHEMBL4637436 0.78 ITGB2 (0.35) ITGALITGB2ICAM1S1PR1S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080262070-A1 Pharmaceutically Active Tetrahydro-Pyrrolizinone Compounds BAUMANN KARL 2008-10-23 US claimed
EP-1937685-A1 TETRAHYDRO-PYRROLIZINONE COMPOUNDS AS LFA-I MEDIATORS Novartis AG (CH) 2008-07-02 EP claimed
WO-2007039286-A1 TETRAHYDRO-PYRROLIZINONE COMPOUNDS AS LFA-I MEDIATORS NOVARTIS AG (CH) 2007-04-12 WO claimed
EP-1937685-A1 TETRAHYDRO-PYRROLIZINONE COMPOUNDS AS LFA-I MEDIATORS Novartis AG (CH) 2008-07-02 EP disclosed
WO-2007039286-A1 TETRAHYDRO-PYRROLIZINONE COMPOUNDS AS LFA-I MEDIATORS NOVARTIS AG (CH) 2007-04-12 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 (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-20080262070-A1 Pharmaceutically Active Tetrahydro-Pyrrolizinone Compounds VCAM1, ICAM1, EPCAM ITGAL 15/4885ITGB2 31/4885ICAM1 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.