SCHEMBL5433541

SCHEMBL5433541

CC(C)c1ccccc1Sc1ccc(-c2csc(NCCCN3CCOCC3)n2)cc1C(F)(F)F

nearest known ligand 0.91

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 19/20 0.91
ICAM1 P05362 19/20 0.91
ITGAL P20701 19/20 0.91
DRD2 P14416 1/20 0.45
ADRA1A P35348 1/20 0.45
DRD3 P35462 1/20 0.45

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
SCHEMBL5428800 0.95 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL5424355 0.87 ITGB2 (0.85) ITGB2ICAM1ITGAL
SCHEMBL5423136 0.83 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL5421572 0.81 ITGB2 (0.90) ITGB2ICAM1ITGAL
SCHEMBL5423081 0.78 ITGB2 (0.67) ITGB2ICAM1ITGAL
SCHEMBL5419733 0.73 ITGB2 (0.78) ITGB2ICAM1ITGAL
SCHEMBL12297600 0.72 ITGB2 (0.61) ITGB2ICAM1ITGAL
SCHEMBL5431078 0.72 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL12297597 0.70 ITGB2 (0.59) ITGB2ICAM1ITGALDRD2ADRA1A
SCHEMBL5420769 0.69 ITGB2 (0.69) ITGB2ICAM1ITGAL

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-20070066585-A1 ARYL PHENYLHETEROCYCLYL SULFIDE DERIVATIVES AND THEIR USE AS CELL ADHESION-INHIBITING ANTI-INFLAMMATORY AND IMMUNE-SUPPRESSIVE AGENTS WANG GARY T 2007-03-22 US disclosed
US-20070066585-A1 ARYL PHENYLHETEROCYCLYL SULFIDE DERIVATIVES AND THEIR USE AS CELL ADHESION-INHIBITING ANTI-INFLAMMATORY AND IMMUNE-SUPPRESSIVE AGENTS WANG GARY T 2007-03-22 US disclosed
US-20070066585-A1 ARYL PHENYLHETEROCYCLYL SULFIDE DERIVATIVES AND THEIR USE AS CELL ADHESION-INHIBITING ANTI-INFLAMMATORY AND IMMUNE-SUPPRESSIVE AGENTS WANG GARY T 2007-03-22 US disclosed
US-7129247-B2 Aryl phenylheterocyclyl sulfide derivatives and their use as cell adhesion-inhibiting anti-inflammatory and immune-suppressive agents ABBOTT LABORATORIES (US) 2006-10-31 US disclosed
US-20050014746-A1 Aryl phenylheterocyclyl sulfide derivatives and their use as cell adhesion-inhibiting anti-inflammatory and immune-supressive agents ICOS CORPORATION 2005-01-20 US disclosed
US-6787542-B2 Aryl phenylheterocyclyl sulfide derivatives and their use as cell adhesion-inhibiting anti-inflammatory and immune-suppressive agents ICOS CORPORATION 2004-09-07 US disclosed
EP-1294704-A1 ARYL PHENYLHETEROCYCLYL SULFIDE DERIVATIVES AND THEIR USE AS CELL ADHESION-INHIBITING ANTI-INFLAMMATORY AND IMMUNE-SUPPRESSIVE AGENTS ABBOTT LABORATORIES (US) 2003-03-26 EP disclosed
US-20020132807-A1 Aryl phenylheterocyclyl sulfide derivatives and their use as cell adhesion-inhibiting anti-inflammatory and immune-suppressive agents ICOS CORPORATION 2002-09-19 US disclosed
WO-2002002539-A1 ARYL PHENYLHETEROCYCLYL SULFIDE DERIVATIVES AND THEIR USE AS CELL ADHESION-INHIBITING ANTI-INFLAMMATORY AND IMMUNE-SUPPRESSIVE AGENTS ABBOTT LABORATORIES (US) 2002-01-10 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 (3 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-20020132807-A1 Aryl phenylheterocyclyl sulfide derivatives and their use as cell adhesion-inhibiting anti-inflammatory and immune-suppressive agents VCAM1, ICAM1, CD47 ITGB2 70/4885ICAM1 2/4885ITGAL 97/4885
US-20050014746-A1 Aryl phenylheterocyclyl sulfide derivatives and their use as cell adhesion-inhibiting anti-inflammatory and immune-supressive agents ICAM1, VCAM1, CD47 ITGB2 45/4885ICAM1 1/4885ITGAL 80/4885
US-20070066585-A1 ARYL PHENYLHETEROCYCLYL SULFIDE DERIVATIVES AND THEIR USE AS CELL ADHESION-INHIBITING ANTI-INFLAMMATORY AND IMMUNE-SUPPRESSIVE AGENTS VCAM1, ICAM1, CD47 ITGB2 70/4885ICAM1 2/4885ITGAL 97/4885

“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.