SCHEMBL7051910

SCHEMBL7051910

O=C(NCCO)c1cc2c(Oc3ccc(C(F)(F)F)cc3)cnc(Cl)c2s1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 10/20 0.56
SELE P16581 10/20 0.56
VCAM1 P19320 5/20 0.56
CCNC P24863 8/20 0.54
CDK8 P49336 8/20 0.54
CCNT1 O60563 1/20 0.44
CDK9 P50750 1/20 0.44
SCN9A Q15858 1/20 0.43
SPHK2 Q9NRA0 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
MCL1 Q07820 1/20 0.39

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
SCHEMBL7051673 0.89 ICAM1 (0.70) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7052814 0.86 ICAM1 (0.67) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7056154 0.83 CCNC (0.78) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7056816 0.82 ICAM1 (0.76) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7055366 0.74 CCNC (0.73) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7056742 0.73 ICAM1 (0.65) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7800604 0.73 ICAM1 (0.61) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7057134 0.72 ICAM1 (1.00) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7054268 0.71 CCNC (0.75) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7053680 0.71 CCNC (1.00) 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 9 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 claimed
US-20010020030-A1 Cell adhesion-inhibiting antiinflammatory compounds ABBVIE INC. 2001-09-06 US claimed
US-6232320-B1 THIENO(2,3-C)PYRIDINE AND 5H-THIENO(2,3-C)PYRAN DERIATIVES ABBOTT LABORATORIES 2001-05-15 US claimed
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
WO-2000075145-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2000-12-14 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.