SCHEMBL5490754

SCHEMBL5490754

CC(C)(C)OC(=O)NOCCCCCCS

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 6/20 0.41
HDAC1 Q13547 6/20 0.41
HDAC6 Q9UBN7 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA1 P00915 8/20 0.40
CA2 P00918 8/20 0.40
CA12 O43570 8/20 0.40
CA9 Q16790 6/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC3 O15379 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC10 Q969S8 2/20 0.33
HDAC11 Q96DB2 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC9 Q9UKV0 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
SCHEMBL15341460 0.84 EPHX1 (0.46) TDP1CA1CA2CA12CA9
SCHEMBL7527615 0.84 EPHX1 (0.46) TDP1CA1CA2CA12CA9
SCHEMBL5493650 0.84 TDP1 (0.59) TDP1CA1CA2CA12CA9
SCHEMBL5498803 0.84 TDP1 (0.42) HDAC4HDAC1HDAC6TDP1CA1
SCHEMBL15332859 0.83 TDP1 (0.41) HDAC4HDAC1HDAC6TDP1CA1
SCHEMBL7519278 0.83 PAOX (0.42) HDAC4HDAC1HDAC6TDP1CA1
SCHEMBL5493643 0.83 TDP1 (0.41) HDAC4HDAC1HDAC6TDP1CA1
SCHEMBL3486538 0.82 CA1 (0.40) TDP1CA1CA2CA12CA9
SCHEMBL755597 0.82 CA1 (0.40) TDP1CA1CA2CA12CA9
SCHEMBL1859283 0.82 EPHX1 (0.43) TDP1CA1CA2CA12CA9

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 6 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

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 HDAC4 3971/4885HDAC1 3761/4885HDAC6 2377/4885
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 HDAC4 2598/4885HDAC1 2754/4885HDAC6 2148/4885
US-20040224366-A1 Valency platform molecules comprising aminooxy groups DAO, PAM, BCAT2 HDAC4 3971/4885HDAC1 3761/4885HDAC6 2377/4885
US-20050004351-A1 Therapeutic and diagnostic domain 1 beta2GP1 polypeptides and methods of using same PLTP, PA2G4, PAG1 HDAC4 4767/4885HDAC1 4388/4885HDAC6 4589/4885

“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.