SCHEMBL7056192

SCHEMBL7056192

Cc1c(C(=O)O)sc2cncc(Oc3ccc(-n4cccn4)cc3)c12

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 12/20 0.57
SELE P16581 12/20 0.57
VCAM1 P19320 8/20 0.57
CCNC P24863 4/20 0.39
CDK8 P49336 4/20 0.39
MAP3K8 P41279 2/20 0.39
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
TBXAS1 P24557 1/20 0.36

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
SCHEMBL7797428 0.91 ICAM1 (0.56) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7051473 0.80 CDK8 (0.57) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7056195 0.73 ICAM1 (0.81) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7051951 0.73 ICAM1 (1.00) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7797418 0.70 SELE (0.55) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7052567 0.70 CDK8 (0.58) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7053701 0.70 ICAM1 (0.58) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7057220 0.69 CDK8 (0.60) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7255489 0.68 ICAM1 (0.59) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7056162 0.68 ICAM1 (0.61) 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 4 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

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.