SCHEMBL5496017

SCHEMBL5496017

O=C(O)CCC(=O)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ MAPT P10636 6/20 0.51
▸ ALDH1A1 P00352 6/20 0.50
▸ GAA P10253 2/20 0.49
▸ HSP90AA1 P07900 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ LOXL2 Q9Y4K0 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ HTT P42858 1/20 0.47
▸ LMNA P02545 1/20 0.46

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
SCHEMBL6932662 0.85 CYP2C19 (0.61) CYP2C19CYP1A2MAPTALDH1A1GAA
SCHEMBL6647402 0.84 TSHR (0.59) CYP2C19CYP1A2MAPTALDH1A1GAA
SCHEMBL76204 0.83 CYP2C19 (0.64) CYP2C19CYP1A2MAPTALDH1A1GAA
SCHEMBL30643815 0.83 CYP2C19 (0.64) CYP2C19CYP1A2MAPTALDH1A1GAA
SCHEMBL8934567 0.83 ALDH1A1 (0.58) CYP2C19CYP1A2MAPTALDH1A1GAA
SCHEMBL28532343 0.82 ALDH1A1 (0.60) CYP2C19CYP1A2MAPTALDH1A1MEN1
SCHEMBL1369959 0.82 CYP2C19 (0.62) CYP2C19CYP1A2MAPTALDH1A1GAA
SCHEMBL27861234 0.82 CYP2C19 (0.62) CYP2C19CYP1A2MAPTALDH1A1GAA
Hydrochloric Acid SCHEMBL2527458 0.82 CYP2C19 (0.62) CYP2C19CYP1A2MAPTALDH1A1GAA
SCHEMBL1369963 0.82 CYP2C19 (0.62) CYP2C19CYP1A2MAPTALDH1A1GAA

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 CYP2C19 1074/4885CYP1A2 1519/4885MAPT 2550/4885
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 CYP2C19 1055/4885CYP1A2 1939/4885MAPT 3182/4885
US-20040224366-A1 Valency platform molecules comprising aminooxy groups DAO, PAM, BCAT2 CYP2C19 1074/4885CYP1A2 1519/4885MAPT 2550/4885
US-20050004351-A1 Therapeutic and diagnostic domain 1 beta2GP1 polypeptides and methods of using same PLTP, PA2G4, PAG1 CYP2C19 4780/4885CYP1A2 4395/4885MAPT 4670/4885

“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.

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