SCHEMBL5494091

SCHEMBL5494091

CC(C)(C)OC(=O)NOCCOCCOCCONC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
CA1 P00915 6/20 0.38
CA2 P00918 6/20 0.38
CA7 P43166 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
CA12 O43570 6/20 0.36
CA14 Q9ULX7 2/20 0.36
CA9 Q16790 4/20 0.36
DGAT1 O75907 1/20 0.34
CTSK P43235 2/20 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
SCHEMBL5494911 0.93 TDP1 (0.42) APLNRTDP1CA1CA2CA7
SCHEMBL20151957 0.93 APLNR (0.36) APLNRTDP1CA1CA2CA7
SCHEMBL28583327 0.93 TDP1 (0.42) APLNRTDP1CA1CA2CA7
SCHEMBL17337904 0.93 APLNR (0.36) APLNRTDP1CA1CA2CA7
SCHEMBL17301885 0.93 APLNR (0.36) APLNRTDP1CA1CA2CA7
SCHEMBL25143061 0.93 APLNR (0.36) APLNRTDP1CA1CA2CA7
SCHEMBL3329784 0.93 TDP1 (0.42) APLNRTDP1CA1CA2CA7
SCHEMBL17926776 0.93 APLNR (0.36) APLNRTDP1CA1CA2CA7
SCHEMBL22515382 0.93 CA2 (0.36) APLNRTDP1CA1CA2CA7
SCHEMBL27294052 0.93 CA1 (0.39) APLNRTDP1CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191263-A1 Valency platform molecules comprising aminooxy groups LA JOLLA PHARMACEUTICAL COMPANY (US) 2007-08-16 US disclosed
EP-1092027-B1 THERAPEUTIC AND DIAGNOSTIC DOMAIN 1 BETA 2 GP1 POLYPEPTIDES AND METHODS OF USING SAME JOLLA PHARMA (US) 2006-11-29 EP 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
WO-1999064595-A9 THERAPEUTIC AND DIAGNOSTIC DOMAIN 1 β2GPI POLYPEPTIDES AND METHODS OF USING SAME JOLLA PHARMA (US) 2000-09-08 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 (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-20070191263-A1 Valency platform molecules comprising aminooxy groups DAO, PAM, BCAT2 APLNR 1278/4885TDP1 3756/4885CA1 553/4885
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 APLNR 546/4885TDP1 3051/4885CA1 111/4885
US-20040224366-A1 Valency platform molecules comprising aminooxy groups DAO, PAM, BCAT2 APLNR 1278/4885TDP1 3756/4885CA1 553/4885
US-20050004351-A1 Therapeutic and diagnostic domain 1 beta2GP1 polypeptides and methods of using same PLTP, PA2G4, PAG1 APLNR 412/4885TDP1 384/4885CA1 2816/4885

“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.