SCHEMBL5493650

SCHEMBL5493650

CC(C)(C)OC(=O)NOCCCCCCO

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
CA1 P00915 6/20 0.41
CA2 P00918 6/20 0.41
CA12 O43570 5/20 0.41
CA9 Q16790 5/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
ACHE P22303 6/20 0.40
GAA P10253 2/20 0.39
CYP4F2 P78329 3/20 0.37
CYP4A11 Q02928 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CA7 P43166 1/20 0.34

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
SCHEMBL16140623 0.93 TDP1 (0.53) TDP1CA1CA2CA12CA9
SCHEMBL7527615 0.86 EPHX1 (0.46) TDP1CA1CA2CA12CA9
SCHEMBL15341460 0.86 EPHX1 (0.46) TDP1CA1CA2CA12CA9
SCHEMBL5498803 0.86 TDP1 (0.42) TDP1CA1CA2CA12CA9
SCHEMBL3709339 0.85 TDP1 (0.47) TDP1CA1CA2CA12CA9
SCHEMBL5490754 0.84 HDAC4 (0.41) TDP1CA1CA2CA12CA9
SCHEMBL7519278 0.84 PAOX (0.42) TDP1CA1CA2CA12CA9
SCHEMBL15332859 0.84 TDP1 (0.41) TDP1CA1CA2CA12CA9
SCHEMBL5493643 0.84 TDP1 (0.41) TDP1CA1CA2CA12CA9
SCHEMBL3486538 0.84 CA1 (0.40) TDP1CA1CA2CA12CA9

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-9669118-B2 Method of labelling a biologically active molecule with 5-fluoro-5-deoxypentose or a 3-fluoro-3-deoxypentose UNIVERSITY COURT OF THE UNIVERSITY OF ST. ANDREWS (GB) 2017-06-06 US disclosed
US-20140227181-A1 METHOD OF LABELLING A BIOLOGICALLY ACTIVE MOLECULE WITH 5-FLUORO-5-DEOXYPENTOSE OR A 3-FLUORO-3-DEOXYPENTOSE TURUN YLIOPISTO (FI) 2014-08-14 US disclosed
US-20070191263-A1 Valency platform molecules comprising aminooxy groups LA JOLLA PHARMACEUTICAL COMPANY (US) 2007-08-16 US disclosed
US-20060141597-A1 A conjugate of biologically active molecules e.g peptides, proteins, nucleic acids, hormones, lipids, antibodies, saccharides, epitopes, enzymes, drugs etc. and a polyoxyethylene containing aminoxy groups JONES DAVID S 2006-06-29 US disclosed
US-6858210-B1 Therapeutic and diagnostic domain 1 β2GPI polypeptides and methods of using same LA JOLLA PHARMACEUTICAL CO. (US) 2005-02-22 US disclosed
US-20050004351-A1 Therapeutic and diagnostic domain 1 beta2GP1 polypeptides and methods of using same MARQUIS DAVID M (US) 2005-01-06 US disclosed
US-20040224366-A1 Valency platform molecules comprising aminooxy groups JONES DAVID S (US) 2004-11-11 US disclosed
EP-1183230-A1 VALENCY PLATFORM MOLECULES COMPRISING AMINOOXY GROUPS LA JOLLA PHARMACEUTICAL (US) 2002-03-06 EP disclosed
EP-1092027-A1 THERAPEUTIC AND DIAGNOSTIC DOMAIN 1 BETA 2 GP1 POLYPEPTIDES AND METHODS OF USING SAME LA JOLLA PHARMACEUTICAL COMPANY (CA) 2001-04-18 EP disclosed
WO-2000075105-A1 VALENCY PLATFORM MOLECULES COMPRISING AMINOOXY GROUPS LA JOLLA PHARMACEUTICAL COMPANY (US) 2000-12-14 WO disclosed
WO-1999064595-A9 THERAPEUTIC AND DIAGNOSTIC DOMAIN 1 β2GPI POLYPEPTIDES AND METHODS OF USING SAME JOLLA PHARMA (US) 2000-09-08 WO disclosed
WO-1999064595-A1 THERAPEUTIC AND DIAGNOSTIC DOMAIN 1 β2GPI POLYPEPTIDES AND METHODS OF USING SAME LA JOLLA PHARMACEUTICAL COMPANY (US) 1999-12-16 WO 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-20070191263-A1 Valency platform molecules comprising aminooxy groups DAO, PAM, BCAT2 TDP1 3756/4885CA1 553/4885CA2 1226/4885
US-20060141597-A1 A conjugate of biologically active molecules e.g peptides, proteins, nucleic acids, hormones, lipids, antibodies, saccharides, epitopes, enzymes, drugs etc. and a polyoxyethylene containing aminoxy groups SHBG, DAO, DNPEP TDP1 3051/4885CA1 111/4885CA2 370/4885
US-20140227181-A1 METHOD OF LABELLING A BIOLOGICALLY ACTIVE MOLECULE WITH 5-FLUORO-5-DEOXYPENTOSE OR A 3-FLUORO-3-DEOXYPENTOSE FUT5, DUT, FUCA1 TDP1 1609/4885CA1 1418/4885CA2 3098/4885
US-20040224366-A1 Valency platform molecules comprising aminooxy groups DAO, PAM, BCAT2 TDP1 3756/4885CA1 553/4885CA2 1226/4885
US-20050004351-A1 Therapeutic and diagnostic domain 1 beta2GP1 polypeptides and methods of using same PLTP, PA2G4, PAG1 TDP1 384/4885CA1 2816/4885CA2 3186/4885

“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.