SCHEMBL5498917

SCHEMBL5498917

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

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.52
CA2 P00918 2/20 0.32
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
CA1 P00915 1/20 0.30
CA7 P43166 1/20 0.30

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
SCHEMBL18817843 0.92 DGAT1 (0.43) DGAT1TDP1MAOAMAOB
SCHEMBL8970993 0.87 DGAT1 (0.36) DGAT1
SCHEMBL3031027 0.84 DGAT1 (0.52) DGAT1CA2CA12CA14TDP1
SCHEMBL27960447 0.84 DGAT1 (0.52) DGAT1CA2CA12CA14TDP1
SCHEMBL28390923 0.82 DGAT1 (0.50) DGAT1CA2CA12CA14TDP1
SCHEMBL27801427 0.82 DGAT1 (0.50) DGAT1CA2CA12CA14TDP1
SCHEMBL5027322 0.82 DGAT1 (0.46) DGAT1TDP1MAOAMAOB
SCHEMBL28721112 0.82 DGAT1 (0.39) DGAT1
SCHEMBL609386 0.82 DGAT1 (0.39) DGAT1
SCHEMBL1066622 0.82 DGAT1 (0.39) DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105085428-A Heteroaromatic derivative and application thereof to medicament GUANGDONG HEC PHARMACEUTICAL 2015-11-25 CN disclosed
CN-100434420-C Compounds that block dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO (JP) 2008-11-19 CN disclosed
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
CN-1745063-A Compound inhibiting dipeptidyl peptidase iv SANWA KAGAKU KENKYUSHO CO (JP) 2006-03-08 CN 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
CN-1202893-A Novel isoxazoline and isoxazole fibrinogen receptor antagonists DU PONT MERCK PHARMA (US) 1998-12-23 CN 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.