SCHEMBL7051713

SCHEMBL7051713

NC(=O)c1cc2c(Oc3ccc(F)c(F)c3F)cncc2s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 17/20 0.67
SELE P16581 17/20 0.67
VCAM1 P19320 8/20 0.65
CCNC P24863 5/20 0.64
CDK8 P49336 5/20 0.64
CCNT1 O60563 1/20 0.64
CDK9 P50750 1/20 0.64
CDC7 O00311 2/20 0.64
DYRK3 O43781 2/20 0.64
ROCK2 O75116 2/20 0.64
MAP4K4 O95819 2/20 0.64
CDK1 P06493 2/20 0.64
PIM1 P11309 2/20 0.64
PRKACA P17612 2/20 0.64
CDK2 P24941 2/20 0.64
FLT4 P35916 2/20 0.64
CSNK1A1 P48729 2/20 0.64
CSNK1D P48730 2/20 0.64
CLK2 P49760 2/20 0.64
GSK3A P49840 2/20 0.64

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
SCHEMBL7052622 0.89 ICAM1 (0.69) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7053716 0.85 ICAM1 (0.66) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7053795 0.81 ICAM1 (1.00) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7057196 0.79 ICAM1 (1.00) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7053626 0.79 ICAM1 (1.00) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7054474 0.78 ICAM1 (1.00) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7055169 0.78 ICAM1 (1.00) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7053671 0.78 CDC7 (1.00) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL5555083 0.78 ICAM1 (1.00) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL29069393 0.77 ICAM1 (0.69) 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 15 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
EP-1181296-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2002-02-27 EP 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
EP-1090009-A2 CELL ADHESION-INHIBITING ANTINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2001-04-11 EP claimed
WO-2000075145-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2000-12-14 WO claimed
WO-1999062908-A2 CELL ADHESION-INHIBITING ANTINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 1999-12-09 WO 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
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 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.