SCHEMBL7144892

SCHEMBL7144892

O=Cc1ccc(Sc2ccccc2Br)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 4/20 0.40
ICAM1 P05362 4/20 0.40
ITGAL P20701 4/20 0.40
PDE7A Q13946 5/20 0.38
PDE7B Q9NP56 2/20 0.38
KIF11 P52732 3/20 0.37
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
DRD1 P21728 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL6201264 0.77 ITGB2 (0.45) ITGB2ICAM1ITGALALDH1A1MAPT
SCHEMBL7151451 0.76 ITGB2 (0.46) ITGB2ICAM1ITGALALDH1A1LMNA
SCHEMBL27525353 0.76 ITGB2 (0.46) ITGB2ICAM1ITGALALDH1A1LMNA
SCHEMBL5546389 0.74 KIF11 (0.47) KIF11ALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL1575987 0.73 KIF11 (0.44) ITGB2ICAM1ITGALKIF11ALDH1A1
SCHEMBL7621281 0.73 ITGAL (0.76) ITGB2ICAM1ITGAL
SCHEMBL6196866 0.73 ITGAL (0.76) ITGB2ICAM1ITGAL
SCHEMBL6927314 0.72 CYP2A6 (0.43) ITGB2ICAM1ITGALPDE7AKIF11
SCHEMBL3158225 0.72 ALDH1A1 (0.44) PDE7APDE7BALDH1A1LMNASMN1; SMN2
SCHEMBL29417742 0.71 KIF11 (0.51) KIF11ALDH1A1SMN1; SMN2RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6521619-B2 Bind to the interaction-domain of integrin lfa-1 interrupting enothelial cell-leukocyte adhesion ICOS CORPORATION 2003-02-18 US disclosed
US-20020156314-A1 Aryl phenylcyclopropyl sulfide derivatives and their use as cell adhesion inhibiting anti-inflammatory and immune suppressive agents ICOS CORPORATION 2002-10-24 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-20020156314-A1 Aryl phenylcyclopropyl sulfide derivatives and their use as cell adhesion inhibiting anti-inflammatory and immune suppressive agents ICAM1, VCAM1, CD47 ITGB2 120/4885ICAM1 1/4885ITGAL 166/4885

“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.