SCHEMBL5337768

SCHEMBL5337768

CC(C)(C)OC(=O)NCCOCc1ccc(NC(=O)C(C)(C)C)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
CA12 O43570 5/20 0.41
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA9 Q16790 5/20 0.41
NAMPT P43490 2/20 0.40
HDAC1 Q13547 1/20 0.40
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PAX8 Q06710 1/20 0.37
KLF5 Q13887 1/20 0.37
DDB1 Q16531 2/20 0.37
CRBN Q96SW2 2/20 0.37
SUCNR1 Q9BXA5 1/20 0.37
PDK2 Q15119 1/20 0.37
SCN9A Q15858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
STK17B O94768 1/20 0.36
STK17A Q9UEE5 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL29612932 0.81 CA12 (0.43) IDO1CA12CA1CA2CA9
SCHEMBL21107306 0.81 CA12 (0.43) IDO1CA12CA1CA2CA9
SCHEMBL14558460 0.78 CDK5 (0.48) IDO1NAMPTHDAC1DDB1CRBN
SCHEMBL29612726 0.78 CA1 (0.43) IDO1CA12CA1CA2CA9
SCHEMBL21107305 0.78 CA1 (0.43) IDO1CA12CA1CA2CA9
SCHEMBL3923988 0.76 ALDH1A1 (0.46) NPC1RAB9APAX8KLF5
SCHEMBL6209519 0.76 TDP1 (0.49) IDO1CA12CA1CA2CA9
SCHEMBL31307121 0.76 IDO1 (0.48) IDO1CA12CA1CA2CA9
SCHEMBL27308985 0.76 MAPT (0.49) IDO1CA12CA1CA2CA9
SCHEMBL23928824 0.75 CYP3A4 (0.60) IDO1NAMPTHDAC1RAB9APPARA

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 IDO1 1904/4885CA12 3519/4885CA1 2441/4885
US-20020173507-A1 Urea compounds and methods of uses SLC14A1, UMPS, BAX IDO1 1156/4885CA12 3109/4885CA1 2307/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX IDO1 1904/4885CA12 3519/4885CA1 2441/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX IDO1 1904/4885CA12 3519/4885CA1 2441/4885

“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.