SCHEMBL7057206

SCHEMBL7057206

CCOC(=O)c1cncc2sc(C(N)=O)cc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ICAM1 P05362 17/20 0.64
▸ SELE P16581 17/20 0.64
▸ VCAM1 P19320 7/20 0.56
▸ CCNC P24863 2/20 0.53
▸ CDK8 P49336 2/20 0.53
▸ PLK4 O00444 2/20 0.50
▸ AURKA O14965 2/20 0.50
▸ CHEK2 O96017 2/20 0.50
▸ PIM1 P11309 2/20 0.50
▸ CDK2 P24941 2/20 0.50
▸ FLT4 P35916 2/20 0.50
▸ KDR P35968 2/20 0.50
▸ MAPK8 P45983 2/20 0.50
▸ MAPK9 P45984 2/20 0.50
▸ CSNK1D P48730 2/20 0.50
▸ GSK3A P49840 2/20 0.50
▸ GSK3B P49841 2/20 0.50
▸ LIMK1 P53667 2/20 0.50
▸ CSNK2A1 P68400 2/20 0.50
▸ CDK5 Q00535 2/20 0.50

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
SCHEMBL7051775 0.85 ICAM1 (0.50) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7051777 0.83 ICAM1 (0.46) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7800551 0.82 ICAM1 (0.70) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL5550833 0.80 ICAM1 (0.70) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7056141 0.79 ICAM1 (0.65) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL31509890 0.78 ICAM1 (0.54) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL27192049 0.78 ICAM1 (0.54) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7055220 0.78 ICAM1 (1.00) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL15518133 0.77 ICAM1 (0.67) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7255085 0.77 ICAM1 (0.52) 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 6 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
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-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 ICAM1 1/4885SELE 16/4885VCAM1 2/4885
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.

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