SCHEMBL5498919

SCHEMBL5498919

COC(=O)C(C)(N)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.48
CA2 P00918 3/20 0.36
CA12 O43570 3/20 0.36
CA14 Q9ULX7 3/20 0.36
TDP1 Q9NUW8 1/20 0.35
CA1 P00915 3/20 0.35
CA7 P43166 2/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
PTPRB P23467 1/20 0.34
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
APLNR P35414 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL7746218 0.81 PKM (0.43) DGAT1CA2CA12CA14TDP1
SCHEMBL7494258 0.81 PKM (0.43) DGAT1CA2CA12CA14TDP1
SCHEMBL1100241 0.81 MEN1 (0.38) DGAT1CA2CA12CA14TDP1
SCHEMBL22577405 0.81 MEN1 (0.38) DGAT1CA2CA12CA14TDP1
SCHEMBL1374814 0.78 DGAT1 (0.52) DGAT1CA2CA12CA14TDP1
SCHEMBL30202063 0.78 TDP1 (0.39) DGAT1CA2CA12CA14TDP1
SCHEMBL29958680 0.77 DGAT1 (0.50) DGAT1CA2CA12CA14TDP1
SCHEMBL28749889 0.76 DGAT1 (0.45) DGAT1CA2CA12CA14TDP1
SCHEMBL28686649 0.76 DGAT1 (0.41) DGAT1CA2CA12CA14TDP1
SCHEMBL28704683 0.76 DGAT1 (0.41) DGAT1CA2CA12CA14TDP1

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
EP-1754705-A2 Antagonists for treatment of CD11/CD18 adhesion receptor mediated disorders Genentech, Inc. (US) 2007-02-21 EP disclosed
EP-1063982-B1 ANTAGONISTS FOR TREATMENT OF CD11/CD18 ADHESION RECEPTOR MEDIATED DISORDERS GENENTECH INC (US) 2007-02-14 EP disclosed
US-20050148588-A1 LFA-1 antagonist compounds GENENTECH, INC. 2005-07-07 US disclosed
US-6872735-B2 LFA-1 antagonist compounds GENENTECH, INC. (US) 2005-03-29 US disclosed
US-6667318-B2 Antiinflammatory agents; autoimmune disease GENENTECH, INC. 2003-12-23 US disclosed
US-20020119994-A1 LFA-1 Antagonist compounds GENENTECH, INC 2002-08-29 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 (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-20020119994-A1 LFA-1 Antagonist compounds ICAM1, VCAM1, CD58 DGAT1 3980/4885CA2 3393/4885CA12 3589/4885
US-20050148588-A1 LFA-1 antagonist compounds CD58, VCAM1, ICAM1 DGAT1 3514/4885CA2 3748/4885CA12 3848/4885

“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.