SCHEMBL5496015

SCHEMBL5496015

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
NPC1 O15118 1/20 0.50
MAPT P10636 3/20 0.49
MEN1 O00255 3/20 0.49
NR1I2 O75469 1/20 0.48
NR3C1 P04150 1/20 0.48
ADRA1A P35348 1/20 0.48
KCNH2 Q12809 1/20 0.48
CYP2C9 P11712 1/20 0.48
MAPK1 P28482 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
ALDH1A1 P00352 4/20 0.46
TDP1 Q9NUW8 1/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 2/20 0.43
GRM8 O00222 1/20 0.43
GRM6 O15303 1/20 0.43

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
SCHEMBL13884501 0.87 ALDH1A1 (0.54) KMT2ANPC1MAPTMEN1AKR1C3
SCHEMBL2389109 0.87 ALDH1A1 (0.54) KMT2ANPC1MAPTMEN1AKR1C3
SCHEMBL135650 0.83 AKR1C3 (0.62) KMT2ANPC1MAPTMEN1MAPK1
SCHEMBL31718130 0.83 AKR1C3 (0.62) KMT2ANPC1MAPTMEN1MAPK1
Hydrochloric Acid SCHEMBL10484221 0.82 AKR1C3 (0.61) KMT2ANPC1MAPTMEN1MAPK1
SCHEMBL12814779 0.81 ALDH1A1 (0.50) KMT2ANPC1MAPTMEN1AKR1C3
SCHEMBL1527805 0.81 AKR1C3 (0.50) KMT2ANPC1MAPTMEN1MAPK1
SCHEMBL3486388 0.80 NPC1 (0.65) KMT2ANPC1MAPTMEN1NR1I2
SCHEMBL9297312 0.80 NPC1 (0.65) KMT2ANPC1MAPTMEN1NR1I2
SCHEMBL27503218 0.80 ALDH1A1 (0.49) KMT2ANPC1MAPTMEN1AKR1C3

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 KMT2A 457/4885NPC1 4885/4885MAPT 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 KMT2A 480/4885NPC1 4870/4885MAPT 3182/4885
US-20040224366-A1 Valency platform molecules comprising aminooxy groups DAO, PAM, BCAT2 KMT2A 457/4885NPC1 4885/4885MAPT 2550/4885
US-20050004351-A1 Therapeutic and diagnostic domain 1 beta2GP1 polypeptides and methods of using same PLTP, PA2G4, PAG1 KMT2A 4128/4885NPC1 1011/4885MAPT 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.