SCHEMBL13633132

SCHEMBL13633132

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.48
CREBBP Q92793 1/20 0.48
CYP17A1 P05093 1/20 0.48
RXFP1 Q9HBX9 1/20 0.45
HDAC3 O15379 8/20 0.44
HDAC1 Q13547 8/20 0.44
HDAC2 Q92769 7/20 0.44
HDAC10 Q969S8 6/20 0.44
HDAC6 Q9UBN7 6/20 0.44
NCOR2 Q9Y618 1/20 0.44
HDAC8 Q9BY41 6/20 0.42
HDAC4 P56524 3/20 0.41
ALDH1A1 P00352 1/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
MAP4K4 O95819 1/20 0.40
SYK P43405 1/20 0.40
BCL2 P10415 1/20 0.40

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
SCHEMBL3786623 0.91 CHRM3 (0.46) BRD4CREBBPCYP17A1RXFP1ALDH1A1
SCHEMBL3783569 0.87 BRD9 (0.46) CYP17A1RXFP1HDAC1CHRM3
SCHEMBL3786206 0.84 CYP17A1 (0.42) CYP17A1RXFP1HDAC1MAP4K4
SCHEMBL3786374 0.84 CYP17A1 (0.57) BRD4CREBBPCYP17A1RXFP1HDAC3
SCHEMBL13669997 0.83 NAMPT (0.44) CYP17A1MAP4K4
SCHEMBL13633013 0.83 CYP17A1 (0.49) BRD4CREBBPCYP17A1RXFP1HDAC3
SCHEMBL3789848 0.83 CYP17A1 (0.62) BRD4CREBBPCYP17A1HDAC3HDAC1
SCHEMBL656043 0.81 ALDH1A1 (0.60) BRD4CYP17A1RXFP1HDAC3HDAC1
SCHEMBL29478358 0.81 ALDH1A1 (0.60) BRD4CYP17A1RXFP1HDAC3HDAC1
SCHEMBL3785736 0.81 BRD4 (0.53) BRD4CREBBPCYP17A1RXFP1HDAC3

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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 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 (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 BRD4 342/4885CREBBP 2369/4885CYP17A1 3568/4885

“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.