SCHEMBL7060282

SCHEMBL7060282

Cc1c(C(=O)O)sc2c(Cl)ncc(Oc3ccc(Cl)cc3)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 12/20 0.51
CDK8 P49336 12/20 0.51
CCNT1 O60563 2/20 0.42
CDK9 P50750 2/20 0.42
SHMT2 P34897 1/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 2/20 0.38
ICAM1 P05362 3/20 0.37
SELE P16581 3/20 0.37
VCAM1 P19320 3/20 0.37
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MEN1 O00255 1/20 0.36
CASP3 P42574 1/20 0.36

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
SCHEMBL7051960 0.89 CCNC (0.58) CCNCCDK8CCNT1CDK9KDM4E
SCHEMBL7152215 0.87 CCNC (0.48) CCNCCDK8CCNT1CDK9NPC1
SCHEMBL7857185 0.81 CCNC (0.48) CCNCCDK8CCNT1CDK9KDM4E
SCHEMBL7051473 0.80 CDK8 (0.57) CCNCCDK8CCNT1CDK9ICAM1
SCHEMBL7854938 0.78 CCNC (0.52) CCNCCDK8CCNT1CDK9KDM4E
SCHEMBL7800609 0.78 CDK8 (0.46) CCNCCDK8CCNT1CDK9KDM4E
SCHEMBL7254052 0.77 CCNC (0.50) CCNCCDK8CCNT1CDK9KDM4E
SCHEMBL7052567 0.69 CDK8 (0.58) CCNCCDK8CCNT1CDK9ICAM1
SCHEMBL7054268 0.68 CCNC (0.75) CCNCCDK8CCNT1CDK9ICAM1
SCHEMBL7057220 0.68 CDK8 (0.60) CCNCCDK8CCNT1CDK9KDM4E

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 CCNC 1780/4885CDK8 2986/4885CCNT1 1245/4885
US-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM CCNC 1780/4885CDK8 2986/4885CCNT1 1245/4885

“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.