SCHEMBL6312906

SCHEMBL6312906

C=C(C(=O)O)c1ccc(Sc2cccc(Br)c2)c(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 14/20 0.36
ICAM1 P05362 14/20 0.36
ITGAL P20701 14/20 0.36
PNP P00491 1/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GRIK1 P39086 1/20 0.32
MPO P05164 1/20 0.31

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
SCHEMBL6316869 0.79 PNP (0.34) PNPMAPTALDH1A1NPSR1GRIK1
SCHEMBL6312904 0.75 ITGB2 (0.52) ITGB2ICAM1ITGAL
SCHEMBL6310684 0.72 ITGAL (0.39) ITGB2ICAM1ITGAL
SCHEMBL20286150 0.69 PTPRC (0.45) PNPMAPTGRIK1
SCHEMBL6312033 0.69 ITGB2 (0.51) ITGB2ICAM1ITGAL
SCHEMBL6817160 0.67 KDM4E (0.32) MAPTALDH1A1
SCHEMBL11013368 0.67 SIRT1 (0.51) PNPMAPTALDH1A1NPSR1
SCHEMBL6195506 0.66 PNP (0.32) PNPMAPTALDH1A1NPSR1GRIK1
SCHEMBL6199611 0.63 ITGB2 (0.52) ITGB2ICAM1ITGALMAPTNPSR1
SCHEMBL28498922 0.63 HNF4A (0.44) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250768-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2005-11-10 US disclosed
US-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 US disclosed
US-6867203-B2 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-03-15 US disclosed
EP-1481968-A2 Cell adhesion-inhibiting anti-inflammatory and immune-suppressive compounds Abbott Laboratories (US) 2004-12-01 EP disclosed
EP-1165505-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2004-09-08 EP disclosed
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 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-20050250768-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ICAM1, VCAM1, EPCAM ITGB2 32/4885ICAM1 1/4885ITGAL 57/4885

“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.