SCHEMBL7057134

SCHEMBL7057134

O=C(NCCO)c1cc2c(Oc3ccc(Cl)cc3)cncc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 11/20 1.00
SELE P16581 11/20 1.00
VCAM1 P19320 5/20 1.00
CCNC P24863 12/20 0.79
CDK8 P49336 12/20 0.79
CCNT1 O60563 1/20 0.67
CDK9 P50750 1/20 0.67
MAP3K8 P41279 1/20 0.60

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
SCHEMBL7619886 0.94 ICAM1 (0.88) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7056780 0.92 ICAM1 (0.84) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7052590 0.91 ICAM1 (0.83) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7056164 0.89 ICAM1 (1.00) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7057307 0.88 CCNC (1.00) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7055724 0.87 CCNC (0.79) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7052272 0.87 CDK8 (0.80) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7056816 0.87 ICAM1 (0.76) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7050900 0.87 CCNC (0.83) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7053253 0.86 CCNC (0.77) 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.