SCHEMBL17472011

SCHEMBL17472011

CC(C)(C)OC(=O)Nc1ccc2c(c1)C(CO)c1cc(BOC=N)ccc1-2

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
ACSS2 Q9NR19 1/20 0.35
MAP4K4 O95819 1/20 0.35
BRD4 O60885 2/20 0.34
CREBBP Q92793 2/20 0.34
CYP17A1 P05093 1/20 0.34
RORC P51449 4/20 0.33
SIRT2 Q8IXJ6 2/20 0.33
SLC10A2 Q12908 1/20 0.33
NR1I3 Q14994 1/20 0.33
PSMB8 P28062 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL17472010 0.87 CA12 (0.38) CA12CA1CA9ACSS2MAP4K4
SCHEMBL1115135 0.85 CA12 (0.47) CA12CA1CA9BRD4CREBBP
SCHEMBL2997209 0.80 EPHX2 (0.46) CA12CA1CA9ACSS2BRD4
SCHEMBL17472012 0.79 RAB9A (0.41) CA12CA1CA9MAP4K4NR1I3
SCHEMBL2465280 0.76 CA12 (0.45) CA12CA1CA9ACSS2BRD4
SCHEMBL14872697 0.75 CA12 (0.38) CA12CA1CA9BRD4CREBBP
SCHEMBL1115122 0.71 CA12 (0.47) CA12CA1CA9MAP4K4BRD4
SCHEMBL12394690 0.71 MEN1 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL14464304 0.71 CA12 (0.43) CA12CA1CA9ACSS2BRD4
SCHEMBL2465279 0.67 CA12 (0.46) CA12CA1CA9MAP4K4BRD4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9381254-B2 Methods for preparing polymeric reagents NEKTAR THERAPEUTICS (US) 2016-07-05 US disclosed
US-20160022830-A1 METHODS FOR PREPARING POLYMERIC REAGENTS NEKTAR THERAPEUTICS 2016-01-28 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 (1 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-20160022830-A1 METHODS FOR PREPARING POLYMERIC REAGENTS PAM, ALKBH3, DNPEP CA12 82/4885CA1 116/4885CA9 357/4885

“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.