SCHEMBL7059684

SCHEMBL7059684

COC(=O)c1sc2cncc(Oc3ccc(Cl)cc3)c2c1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 13/20 0.59
CCNC P24863 12/20 0.59
ICAM1 P05362 7/20 0.50
SELE P16581 7/20 0.50
VCAM1 P19320 5/20 0.50
CCNT1 O60563 1/20 0.47
CDK9 P50750 1/20 0.47
PIM1 P11309 1/20 0.44
MAP2K2 P36507 1/20 0.44
MAP4K2 Q12851 1/20 0.44
MAP3K8 P41279 2/20 0.43
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
CASP7 P55210 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
SCHEMBL7057220 0.87 CDK8 (0.60) CDK8CCNCICAM1SELEVCAM1
SCHEMBL7057110 0.87 CDK8 (0.60) CDK8CCNCICAM1SELEVCAM1
SCHEMBL7057872 0.86 CDK8 (0.59) CDK8CCNCICAM1SELEVCAM1
SCHEMBL7052209 0.86 CDK8 (0.58) CDK8CCNCICAM1SELEVCAM1
SCHEMBL7051473 0.82 CDK8 (0.57) CDK8CCNCICAM1SELEVCAM1
SCHEMBL7053380 0.80 CDK8 (0.57) CDK8CCNCICAM1SELEVCAM1
SCHEMBL7055509 0.78 CDK8 (0.52) CDK8CCNCICAM1SELEVCAM1
SCHEMBL7056162 0.77 ICAM1 (0.61) CDK8CCNCICAM1SELEVCAM1
SCHEMBL7052567 0.77 CDK8 (0.58) CDK8CCNCICAM1SELEVCAM1
SCHEMBL7050810 0.75 CDK8 (0.59) CDK8CCNCICAM1SELEVCAM1

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 5 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
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 CDK8 2986/4885CCNC 1780/4885ICAM1 1/4885
US-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM CDK8 2986/4885CCNC 1780/4885ICAM1 1/4885

“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.