SCHEMBL6201264

SCHEMBL6201264

CCOc1ccccc1Sc1ccc(C=O)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 13/20 0.45
ICAM1 P05362 13/20 0.45
ITGAL P20701 13/20 0.45
ALDH1A1 P00352 4/20 0.44
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AR P10275 1/20 0.38
TACR2 P21452 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
SCHEMBL6196477 0.77 ITGAL (0.73) ITGB2ICAM1ITGAL
SCHEMBL7144892 0.77 ITGB2 (0.40) ITGB2ICAM1ITGALALDH1A1MAPT
SCHEMBL6198015 0.77 ITGAL (0.62) ITGB2ICAM1ITGALALDH1A1HPGD
SCHEMBL3574138 0.76 ALDH1A1 (0.59) ALDH1A1MAPTHPGDNPSR1TDP1
SCHEMBL6194865 0.75 NPC1 (0.47) ITGB2ICAM1ITGALALDH1A1KCNK3
SCHEMBL1575987 0.71 KIF11 (0.44) ITGB2ICAM1ITGALALDH1A1HPGD
SCHEMBL6927314 0.70 CYP2A6 (0.43) ITGB2ICAM1ITGALALDH1A1MAPT
SCHEMBL17535921 0.68 ALDH1A1 (0.43) ALDH1A1L3MBTL1ARTACR2
SCHEMBL6201262 0.68 PDK2 (0.38) ITGB2ICAM1ITGALALDH1A1MAPT
SCHEMBL6946500 0.67 ALDH1A1 (0.50) ALDH1A1KCNK3KCNK9MAPTHPGD

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-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
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 US 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 ITGB2 32/4885ICAM1 1/4885ITGAL 57/4885

“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.