SCHEMBL7054262

SCHEMBL7054262

Cc1ccc(Oc2cncc(N)c2NC(=O)C(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 4/20 0.43
SELE P16581 4/20 0.43
CDK8 P49336 4/20 0.43
CCNC P24863 3/20 0.43
VCAM1 P19320 2/20 0.43
MAPT P10636 2/20 0.37
KCNH2 Q12809 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
GALR3 O60755 1/20 0.36
HTT P42858 1/20 0.35
MAPK14 Q16539 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35
MMP13 P45452 1/20 0.35
CASP1 P29466 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TEAD4 Q15561 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL7058172 0.86 CCNC (0.41) ICAM1SELECDK8CCNCVCAM1
SCHEMBL7051691 0.78 PTGS1 (0.47) MAPTGALR3HTTMAPK14MMP13
SCHEMBL8670338 0.72 LMNA (0.41) MAPTCASP1L3MBTL1MAPK1PDGFRA
SCHEMBL7053710 0.72 TEAD4 (0.47) ICAM1SELECDK8CCNCVCAM1
SCHEMBL7055541 0.66 CDK8 (0.46) ICAM1SELECDK8CCNCVCAM1
SCHEMBL7054411 0.66 TEAD4 (0.47) ICAM1SELECDK8CCNCVCAM1
SCHEMBL31358248 0.63 CYP3A4 (0.41) MAPTHTTL3MBTL1
SCHEMBL4110532 0.63 L3MBTL1 (0.83) MAPTL3MBTL1
SCHEMBL13668112 0.62 HTT (0.53) MAPTHTTL3MBTL1KDR
SCHEMBL14667342 0.62 HDAC2 (0.57) HTTL3MBTL1

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 6 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
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 ICAM1 1/4885SELE 16/4885CDK8 2986/4885
US-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM ICAM1 1/4885SELE 16/4885CDK8 2986/4885

“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.