SCHEMBL5494911

SCHEMBL5494911

CC(C)(C)OC(=O)NOCCOCCOCCO

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TSHR P16473 2/20 0.36
APLNR P35414 1/20 0.36
MAPK1 P28482 1/20 0.36
CA1 P00915 6/20 0.34
CA2 P00918 6/20 0.34
CA7 P43166 2/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.33
CA12 O43570 6/20 0.33
CA9 Q16790 4/20 0.33
CA14 Q9ULX7 2/20 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
SCHEMBL3329784 1.00 TDP1 (0.42) TDP1MEN1KMT2ATSHRAPLNR
SCHEMBL28583327 1.00 TDP1 (0.42) TDP1MEN1KMT2ATSHRAPLNR
SCHEMBL5494091 0.93 APLNR (0.40) TDP1MEN1KMT2AAPLNRCA1
SCHEMBL3709339 0.89 TDP1 (0.47) TDP1MEN1KMT2AAPLNRCA1
Hydrochloric Acid SCHEMBL6521555 0.87 TDP1 (0.46) TDP1MEN1KMT2AAPLNRCA1
SCHEMBL25143061 0.86 APLNR (0.36) TDP1MEN1KMT2AAPLNRCA1
SCHEMBL17301885 0.86 APLNR (0.36) TDP1MEN1KMT2AAPLNRCA1
SCHEMBL20151957 0.86 APLNR (0.36) TDP1MEN1KMT2AAPLNRCA1
SCHEMBL17337904 0.86 APLNR (0.36) TDP1MEN1KMT2AAPLNRCA1
SCHEMBL22515382 0.86 CA2 (0.36) TDP1MEN1KMT2AAPLNRCA1

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 10 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
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-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 (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 TDP1 3756/4885MEN1 3498/4885KMT2A 457/4885
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 3051/4885MEN1 2706/4885KMT2A 480/4885
US-20040224366-A1 Valency platform molecules comprising aminooxy groups DAO, PAM, BCAT2 TDP1 3756/4885MEN1 3498/4885KMT2A 457/4885
US-20050004351-A1 Therapeutic and diagnostic domain 1 beta2GP1 polypeptides and methods of using same PLTP, PA2G4, PAG1 TDP1 384/4885MEN1 1505/4885KMT2A 4128/4885

“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.