SCHEMBL7051777

SCHEMBL7051777

CCOC(=O)c1cncc2sc(C(=O)OCC(C)C)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 6/20 0.46
SELE P16581 6/20 0.46
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
VCAM1 P19320 3/20 0.40
KDM4E B2RXH2 3/20 0.38
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38

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
SCHEMBL7051775 0.83 ICAM1 (0.50) ICAM1SELEVCAM1GABRPGABRD
SCHEMBL7057206 0.83 ICAM1 (0.64) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7159805 0.81 ICAM1 (0.57) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7059757 0.81 ICAM1 (0.39) ICAM1SELEALDH1A1TSHRVCAM1
SCHEMBL7057691 0.80 ICAM1 (0.38) ICAM1SELEALDH1A1TSHRVCAM1
SCHEMBL7255085 0.78 ICAM1 (0.52) ICAM1SELETSHRVCAM1KDM4E
SCHEMBL17080828 0.77 ICAM1 (0.51) ICAM1SELEVCAM1KDM4ECDC7
SCHEMBL31509890 0.77 ICAM1 (0.54) ICAM1SELEVCAM1KDM4ECDC7
SCHEMBL27192049 0.77 ICAM1 (0.54) ICAM1SELEVCAM1KDM4ECDC7
SCHEMBL30430905 0.77 ICAM1 (0.51) ICAM1SELEVCAM1KDM4ECDC7

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 16/4885ALDH1A1 153/4885
US-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM ICAM1 1/4885SELE 16/4885ALDH1A1 153/4885

“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.