SCHEMBL7112557

SCHEMBL7112557

Cc1c(C(N)=O)sc2cncc(Oc3ccc(-c4noc(C(F)(F)F)n4)cc3)c12

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 2/20 0.59
SELE P16581 2/20 0.59
HDAC4 P56524 14/20 0.42
HDAC6 Q9UBN7 11/20 0.42
HDAC1 Q13547 3/20 0.41
HDAC8 Q9BY41 2/20 0.41
CCNC P24863 2/20 0.40
CDK8 P49336 2/20 0.40

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
SCHEMBL7801846 0.80 CCNC (0.60) ICAM1SELECCNCCDK8
SCHEMBL7053701 0.76 ICAM1 (0.58) ICAM1SELECCNCCDK8
SCHEMBL7052567 0.76 CDK8 (0.58) ICAM1SELECCNCCDK8
SCHEMBL7255489 0.74 ICAM1 (0.59) ICAM1SELECCNCCDK8
SCHEMBL7797411 0.74 ICAM1 (0.55) ICAM1SELECCNCCDK8
SCHEMBL7052212 0.74 SELE (1.00) ICAM1SELECCNCCDK8
SCHEMBL7671865 0.74 SELE (0.57) ICAM1SELECCNCCDK8
SCHEMBL7797355 0.74 ICAM1 (0.60) ICAM1SELECCNCCDK8
SCHEMBL7681347 0.74 ICAM1 (0.55) ICAM1SELECCNCCDK8
SCHEMBL7931909 0.73 ICAM1 (0.62) ICAM1SELECCNCCDK8

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-20010020030-A1 Cell adhesion-inhibiting antiinflammatory compounds ABBVIE INC. 2001-09-06 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 16/4885HDAC4 1845/4885
US-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM ICAM1 1/4885SELE 16/4885HDAC4 1845/4885

“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.