SCHEMBL2583801

SCHEMBL2583801

COC(=O)CCCCCN(CCCCCC(=O)OC)C(=O)CCCCCN(CCCCCC(=O)N(CCCCCC(=O)OC)CCCCCC(=O)OC)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 2/20 0.49
HDAC6 Q9UBN7 2/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
KDM5A P29375 2/20 0.42
TSHR P16473 3/20 0.40
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ACHE P22303 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
RECQL P46063 1/20 0.34
EPHX2 P34913 1/20 0.33

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
SCHEMBL3265219 0.94 CA14 (0.54) CA14HDAC6HDAC1HDAC2KDM5A
SCHEMBL18499075 0.94 CA14 (0.54) CA14HDAC6HDAC1HDAC2KDM5A
SCHEMBL31216205 0.88 CA14 (0.49) CA14HDAC6HDAC1HDAC2KDM5A
SCHEMBL21068864 0.88 CA14 (0.52) CA14HDAC6HDAC1HDAC2KDM5A
SCHEMBL25473057 0.88 CA14 (0.53) CA14HDAC6HDAC1HDAC2KDM5A
SCHEMBL6510544 0.85 HDAC1 (0.49) CA14HDAC6HDAC1HDAC2KDM5A
SCHEMBL16486684 0.82 CA14 (0.49) CA14HDAC6HDAC1HDAC2KDM5A
SCHEMBL5024808 0.81 TSHR (0.45) CA14HDAC6HDAC1HDAC2KDM5A
SCHEMBL25756187 0.81 CA14 (0.43) CA14HDAC6HDAC1HDAC2KDM5A
SCHEMBL23765859 0.81 CA14 (0.43) CA14HDAC6HDAC1HDAC2KDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269943-A1 RADIOLABELED ANNEXINS UNIVERSITY OF WASHINGTON (US) 2011-11-03 US disclosed
US-7744853-B2 Radiolabeled annexins PONIARD PHARMACEUTICALS, INC. (US) 2010-06-29 US disclosed
US-7115248-B2 Radiolabeled annexins NEORX CORPORATION (US) 2006-10-03 US disclosed
US-20060029545-A1 Radiolabeled annexins NEORX CORPORATION, REGENTS OF THE UNIVERSITY OF MICHIGAN 2006-02-09 US disclosed
US-6908903-B1 Cluster clearing agents ALETHEON PHARMACEUTICALS, INC. (US) 2005-06-21 US disclosed
US-20050036948-A1 Radiolabeled annexins NEORX CORPORATION (US) 2005-02-17 US disclosed
EP-1426062-A2 Radiolabeled annexins NEORX CORPORATION (US) 2004-06-09 EP disclosed
EP-0918547-B1 RADIOLABELED ANNEXINS NEORX CORP (US) 2004-03-10 EP disclosed
US-20030220233-A1 Radiolabeled annexins NEORX CORPORATION 2003-11-27 US disclosed
US-20020137672-A1 Radiolabeled annexins KASINA SUDHAKAR (US) 2002-09-26 US disclosed
US-6172045-B1 COMPLEX CONTAINING 1-DESOXY-1-THIO-N-ACETYLGALACTOSAMINE NEORX CORPORATION 2001-01-09 US disclosed
US-6171577-B1 ACCESSIBLE SULFHYDRYL GROUP; AND HEXOSE MOIETY RECOGNIZED BY A MAMMALIAN LIVER RECEPTOR, WHEREIN THE HEXOSE MOIETY IS CONJUGATED TO THE ANNEXIN. NEORX CORPORATION 2001-01-09 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 (5 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-20060029545-A1 Radiolabeled annexins ANXA11, ANXA1, ANXA3 CA14 740/4885HDAC6 2939/4885HDAC1 4383/4885
US-20050036948-A1 Radiolabeled annexins ANXA11, ANXA1, ANXA3 CA14 740/4885HDAC6 2939/4885HDAC1 4383/4885
US-20110269943-A1 RADIOLABELED ANNEXINS ANXA11, ANXA1, ANXA3 CA14 740/4885HDAC6 2939/4885HDAC1 4383/4885
US-20020137672-A1 Radiolabeled annexins ANXA11, ANXA1, ANXA3 CA14 740/4885HDAC6 2939/4885HDAC1 4383/4885
US-20030220233-A1 Radiolabeled annexins ANXA11, ANXA1, ANXA3 CA14 740/4885HDAC6 2939/4885HDAC1 4383/4885

“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.