SCHEMBL6200993

SCHEMBL6200993

Cn1ccc2cc(Sc3ccc(C=O)cc3Cl)ccc21

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.62
ITGAL P20701 11/20 0.61
ITGB2 P05107 10/20 0.61
ICAM1 P05362 10/20 0.61
ALDH1A1 P00352 2/20 0.38
PRKCI P41743 1/20 0.38
MAOB P27338 1/20 0.37
AR P10275 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
SCHEMBL29569100 0.79 CYP2A6 (1.00) CYP2A6PRKCIMAOB
SCHEMBL1125942 0.79 CYP2A6 (1.00) CYP2A6PRKCIMAOB
SCHEMBL6196489 0.77 ITGAL (1.00) ITGALITGB2ICAM1
SCHEMBL6928823 0.75 ALDH1A1 (0.47) CYP2A6ITGALITGB2ICAM1ALDH1A1
SCHEMBL6311977 0.74 ITGAL (0.77) ITGALITGB2ICAM1
SCHEMBL29954047 0.69 CYP2A6 (1.00) CYP2A6ALDH1A1PRKCI
SCHEMBL1125855 0.69 CYP2A6 (1.00) CYP2A6ALDH1A1PRKCI
SCHEMBL6196481 0.69 ITGAL (0.64) ITGALITGB2ICAM1MAOBAR
SCHEMBL1575377 0.67 ALDH1A1 (0.57) CYP2A6ITGALITGB2ICAM1ALDH1A1
SCHEMBL6471597 0.66 CYP2A6 (0.70) CYP2A6PRKCI

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250768-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2005-11-10 US disclosed
EP-1140814-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2005-05-25 EP disclosed
US-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 US disclosed
US-6867203-B2 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-03-15 US disclosed
EP-1481968-A2 Cell adhesion-inhibiting anti-inflammatory and immune-suppressive compounds Abbott Laboratories (US) 2004-12-01 EP disclosed
EP-1165505-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2004-09-08 EP disclosed
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 US disclosed
EP-1165505-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2002-01-02 EP disclosed
WO-2000059880-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-10-12 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 (1 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-20050250768-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ICAM1, VCAM1, EPCAM CYP2A6 3547/4885ITGAL 57/4885ITGB2 32/4885

“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.