SCHEMBL5345858

SCHEMBL5345858

[CH2]N(C(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
CA14 Q9ULX7 4/20 0.33
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.32
CA7 P43166 2/20 0.32
CA2 P00918 2/20 0.32
DGAT1 O75907 1/20 0.32
USP30 Q70CQ3 1/20 0.32
POLB P06746 1/20 0.30
MAPK1 P28482 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
SCHEMBL12261426 0.76 HDAC6 (0.36) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL16440494 0.76 HDAC6 (0.36) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL20916878 0.75 HDAC6 (0.38) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL16100171 0.75 CA12 (0.33) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL19492022 0.74 USP30 (0.35) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL5345861 0.74 AAK1 (0.35) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL1028060 0.74 POLB (0.45) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL206709 0.73 HDAC6 (0.37) HDAC6HDAC1HDAC2CA14DGAT1
SCHEMBL22308401 0.73 CA1 (0.36) HDAC6HDAC1HDAC2CA14CA12
SCHEMBL3908694 0.73 USP30 (0.35) HDAC6HDAC1HDAC2CA14CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040044044-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-03-04 US claimed
US-20040039029-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-02-26 US claimed
US-6645990-B2 For prophylaxis and therapy of diseases, such as cell proliferation or apoptosis mediated diseases AMGEN INC. 2003-11-11 US claimed
US-20020193405-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2002-12-19 US claimed
US-7196104-B2 Thiazolyl urea compounds and methods of uses AMGEN, INC. (US) 2007-03-27 US disclosed
EP-1483263-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER Amgen Inc. (US) 2004-12-08 EP disclosed
US-20040044044-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-03-04 US disclosed
EP-1038874-B1 OXIME DERIVATIVES AND AGRICULTURAL CHEMICALS CONTAINING THE SAME DAINIPPON INK & CHEMICALS (JP) 2004-03-03 EP 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
WO-2003070727-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2003-08-28 WO disclosed
US-20020193405-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2002-12-19 US disclosed
US-6340697-B1 PESTICIDES, PLANT DISEASE CONTROL AGENTS DAINIPPON INK AND CHEMICALS, INC. (JP) 2002-01-22 US disclosed
EP-1038874-A1 OXIME DERIVATIVES AND AGRICULTURAL CHEMICALS CONTAINING THE SAME DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-09-27 EP 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 (3 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 HDAC6 1381/4885HDAC1 769/4885HDAC2 2628/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX HDAC6 1381/4885HDAC1 769/4885HDAC2 2628/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX HDAC6 1381/4885HDAC1 769/4885HDAC2 2628/4885

“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.