SCHEMBL5488813

SCHEMBL5488813

CC(C)(C)OC(=O)N(OCC(=O)O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 2/20 0.40
MMP14 P50281 1/20 0.39
NR1D1 P20393 1/20 0.39
MEN1 O00255 1/20 0.38
CRHBP P24387 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
CRHR2 Q13324 1/20 0.38
TLR9 Q9NR96 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
POLB P06746 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL5285266 0.82 ALDH1A1 (0.45) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL27792480 0.82 ALDH1A1 (0.48) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL8727987 0.79 ALDH1A1 (0.48) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL6916032 0.78 ALDH1A1 (0.48) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL27576600 0.77 ALDH1A1 (0.43) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL380709 0.76 ALDH1A1 (0.57) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL1954194 0.76 ALDH1A1 (0.47) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL29965703 0.76 ALDH1A1 (0.53) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL6081269 0.76 ALDH1A1 (0.57) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL3010109 0.75 ALDH1A1 (0.46) ALDH1A1MAPTLMNASMN1; SMN2GAA

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 11 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-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 (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 ALDH1A1 2138/4885MAPT 2550/4885LMNA 3659/4885
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 ALDH1A1 2934/4885MAPT 3182/4885LMNA 3311/4885
US-20040224366-A1 Valency platform molecules comprising aminooxy groups DAO, PAM, BCAT2 ALDH1A1 2138/4885MAPT 2550/4885LMNA 3659/4885
US-20050004351-A1 Therapeutic and diagnostic domain 1 beta2GP1 polypeptides and methods of using same PLTP, PA2G4, PAG1 ALDH1A1 3561/4885MAPT 4670/4885LMNA 425/4885

“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.