SCHEMBL7053728

SCHEMBL7053728

COC(=O)c1cc2c(Oc3ccc(C=CC(=O)OC(C)(C)C)cc3)cncc2s1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCNC P24863 5/20 0.65
CDK8 P49336 5/20 0.65
ESR1 P03372 1/20 0.55
ICAM1 P05362 13/20 0.53
SELE P16581 12/20 0.53
VCAM1 P19320 3/20 0.53
MAP3K8 P41279 3/20 0.53

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
SCHEMBL7053724 1.00 CCNC (0.65) CCNCCDK8ESR1ICAM1SELE
SCHEMBL7059457 0.81 CCNC (0.69) CCNCCDK8ICAM1SELEVCAM1
SCHEMBL7054426 0.80 CCNC (0.80) CCNCCDK8ICAM1SELEVCAM1
SCHEMBL7052854 0.80 SELE (0.81) CCNCCDK8ICAM1SELEMAP3K8
SCHEMBL7052862 0.80 SELE (0.81) CCNCCDK8ICAM1SELEMAP3K8
SCHEMBL7058294 0.79 ICAM1 (0.78) CCNCCDK8ICAM1SELEVCAM1
SCHEMBL7051837 0.79 ICAM1 (0.83) CCNCCDK8ICAM1SELEVCAM1
SCHEMBL7051830 0.79 ICAM1 (0.83) CCNCCDK8ICAM1SELEVCAM1
SCHEMBL7054707 0.79 CCNC (0.79) CCNCCDK8ICAM1SELEVCAM1
SCHEMBL5555774 0.79 MAP3K8 (0.80) CCNCCDK8ICAM1SELEVCAM1

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 2 patents. 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 disclosed
US-6232320-B1 THIENO(2,3-C)PYRIDINE AND 5H-THIENO(2,3-C)PYRAN DERIATIVES ABBOTT LABORATORIES 2001-05-15 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-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM CCNC 1780/4885CDK8 2986/4885ESR1 2908/4885

“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.