SCHEMBL7057486

SCHEMBL7057486

CNC(=O)c1cc2c(Oc3ccc(CCOC)cc3)cncc2s1

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 19/20 0.83
SELE P16581 19/20 0.83
VCAM1 P19320 10/20 0.79
CCNC P24863 2/20 0.72
CDK8 P49336 2/20 0.72

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
SCHEMBL7057899 0.91 ICAM1 (1.00) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7053280 0.89 ICAM1 (1.00) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7050646 0.88 ICAM1 (1.00) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7056765 0.88 ICAM1 (1.00) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7055341 0.84 ICAM1 (1.00) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7056161 0.84 CCNC (1.00) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL6438196 0.84 ICAM1 (1.00) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7055764 0.83 ICAM1 (1.00) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7057602 0.83 SELE (1.00) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7052312 0.83 ICAM1 (0.78) ICAM1SELEVCAM1CCNCCDK8

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-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds STEWART ANDREW O (US) 2003-11-27 US claimed

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-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM ICAM1 1/4885SELE 16/4885VCAM1 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.