SCHEMBL5338527

SCHEMBL5338527

Nc1cccc(Oc2ccc(CCNC(=O)O)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.54
PLAAT3 P53816 6/20 0.47
PLAAT5 Q96KN8 6/20 0.47
PLAAT2 Q9NWW9 6/20 0.47
PLAAT4 Q9UL19 6/20 0.47
EPHX2 P34913 5/20 0.46
OPRD1 P41143 5/20 0.45
OPRK1 P41145 5/20 0.45
LTA4H P09960 4/20 0.43
ACACB O00763 1/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
GRIN1 Q05586 1/20 0.42
KCNH2 Q12809 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
ROCK1 Q13464 1/20 0.42
GRIN2C Q14957 1/20 0.42

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
SCHEMBL20239237 0.78 ALDH1A1 (0.65) OPRM1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL902861 0.77 NOS1 (0.53)
SCHEMBL30941666 0.77 EPHX2 (0.69) OPRM1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL23582337 0.76 CYP4F2 (0.44) OPRM1F2F10PRSS1PRSS2
SCHEMBL20239168 0.76 RAB9A (0.47) OPRM1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL20239189 0.75 RAB9A (0.46) OPRM1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL20239174 0.74 LOXL2 (0.53) OPRM1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL6223063 0.73 OPRM1 (0.74) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL20239158 0.73 EPHX2 (0.43) OPRM1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL6630918 0.73 F2 (0.42) OPRM1F2F10PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196104-B2 Thiazolyl urea compounds and methods of uses AMGEN, INC. (US) 2007-03-27 US disclosed
EP-1309589-B1 UREA COMPOUNDS AND METHODS OF USES AMGEN INC (US) 2006-03-15 EP disclosed
EP-1619184-A2 Urea compounds as kinase inhibitors Amgen, Inc. (US) 2006-01-25 EP disclosed
US-20040044044-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-03-04 US disclosed
US-20040039029-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-02-26 US disclosed
US-6645990-B2 For prophylaxis and therapy of diseases, such as cell proliferation or apoptosis mediated diseases AMGEN INC. 2003-11-11 US disclosed
US-20020193405-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2002-12-19 US disclosed
US-20020173507-A1 Urea compounds and methods of uses AMGEN INC. 2002-11-21 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 (4 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-20020193405-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX OPRM1 3812/4885PLAAT3 3037/4885PLAAT5 2428/4885
US-20020173507-A1 Urea compounds and methods of uses SLC14A1, UMPS, BAX OPRM1 3040/4885PLAAT3 3067/4885PLAAT5 2398/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX OPRM1 3812/4885PLAAT3 3037/4885PLAAT5 2428/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX OPRM1 3812/4885PLAAT3 3037/4885PLAAT5 2428/4885

“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.