SCHEMBL13633013

SCHEMBL13633013

CC(C)(C)OC(=O)Nc1cccc(-c2cc(N=O)ccc2NC(=O)OC(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.49
BRD4 O60885 1/20 0.49
CREBBP Q92793 1/20 0.49
RXFP1 Q9HBX9 1/20 0.43
HDAC1 Q13547 8/20 0.41
HDAC3 O15379 8/20 0.41
HDAC2 Q92769 7/20 0.41
HDAC8 Q9BY41 6/20 0.41
HDAC10 Q969S8 6/20 0.41
HDAC6 Q9UBN7 6/20 0.40
HDAC4 P56524 3/20 0.39
NCOR2 Q9Y618 1/20 0.39
NAMPT P43490 1/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
BCL2 P10415 1/20 0.39
BECN1 Q14457 1/20 0.39
HCRTR1 O43613 1/20 0.38

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
SCHEMBL13632954 0.84 NAMPT (0.45) CYP17A1BRD4CREBBPNAMPTBCL2
SCHEMBL13633132 0.83 BRD4 (0.48) CYP17A1BRD4CREBBPRXFP1HDAC1
SCHEMBL24908194 0.82 CYP17A1 (0.50) CYP17A1BRD4CREBBPRXFP1HDAC1
SCHEMBL13754832 0.76 CYP17A1 (0.64) CYP17A1BRD4CREBBPHDAC1HDAC3
SCHEMBL29029431 0.75 HDAC3 (0.56) CYP17A1BRD4CREBBPRXFP1HDAC1
SCHEMBL13633012 0.75 CYP17A1 (0.40) CYP17A1RXFP1BRD9KDM4E
SCHEMBL18535719 0.74 BRD9 (0.50) BRD4CREBBPRXFP1BRD9KDM4E
SCHEMBL3785736 0.74 BRD4 (0.53) CYP17A1BRD4CREBBPRXFP1HDAC1
SCHEMBL3786623 0.74 CHRM3 (0.46) CYP17A1BRD4CREBBPRXFP1BRD9
SCHEMBL31671045 0.74 CYP17A1 (0.76) CYP17A1BRD4CREBBPHDAC1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK CYP17A1 3568/4885BRD4 342/4885CREBBP 2369/4885

“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.