SCHEMBL7052854

SCHEMBL7052854

COC(=O)c1cc2c(Oc3ccc(/C=C/C(=O)N4CCOCC4)cc3)cncc2s1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SELE P16581 14/20 0.81
ICAM1 P05362 14/20 0.81
CCNC P24863 3/20 0.59
CDK8 P49336 3/20 0.59
MAP3K8 P41279 2/20 0.48

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
SCHEMBL7052862 1.00 SELE (0.81) SELEICAM1CCNCCDK8MAP3K8
SCHEMBL7053399 0.90 ICAM1 (1.00) SELEICAM1CCNCCDK8
SCHEMBL7053402 0.90 ICAM1 (1.00) SELEICAM1CCNCCDK8
SCHEMBL7249145 0.85 ICAM1 (0.86) SELEICAM1CCNCCDK8
SCHEMBL7249150 0.85 ICAM1 (0.86) SELEICAM1CCNCCDK8
SCHEMBL7054304 0.85 SELE (0.81) SELEICAM1CCNCCDK8MAP3K8
SCHEMBL7645932 0.81 SELE (0.70) SELEICAM1
SCHEMBL7053724 0.80 CCNC (0.65) SELEICAM1CCNCCDK8MAP3K8
SCHEMBL7053728 0.80 CCNC (0.65) SELEICAM1CCNCCDK8MAP3K8
SCHEMBL7051604 0.78 SELE (1.00) SELEICAM1CCNCCDK8

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 8 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-6579882-B2 Thieno(2,3-d)pyrimidine derivatives ABBOTT LABORATORIES 2003-06-17 US disclosed
EP-1181296-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2002-02-27 EP disclosed
US-20010020030-A1 Cell adhesion-inhibiting antiinflammatory compounds ABBVIE INC. 2001-09-06 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
EP-1090009-A2 CELL ADHESION-INHIBITING ANTINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2001-04-11 EP disclosed
WO-2000075145-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2000-12-14 WO disclosed
WO-1999062908-A2 CELL ADHESION-INHIBITING ANTINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 1999-12-09 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 (2 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-20010020030-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM SELE 16/4885ICAM1 1/4885CCNC 1780/4885
US-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM SELE 16/4885ICAM1 1/4885CCNC 1780/4885

“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.