SCHEMBL16744233

SCHEMBL16744233

CC(C)c1cc2c(cc1C(C)C)NC(=O)CN2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
SMYD3 Q9H7B4 2/20 0.35
XIAP P98170 1/20 0.34
BIRC2 Q13490 1/20 0.34
TP53 P04637 1/20 0.33
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
CMA1 P23946 1/20 0.31
AHR P35869 1/20 0.31
RAF1 P04049 1/20 0.30
BRAF P15056 1/20 0.30
PDE3B Q13370 2/20 0.30
PDE3A Q14432 2/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
KIF11 P52732 1/20 0.30

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
SCHEMBL17348364 0.78 CYP11B1 (0.42) CYP11B1CYP11B2SMYD3TP53LMNA
SCHEMBL16369414 0.77 HPGD (0.42) CYP11B1CYP11B2SMYD3XIAPBIRC2
SCHEMBL31526666 0.77 HPGD (0.42) CYP11B1CYP11B2SMYD3XIAPBIRC2
SCHEMBL19300242 0.77 CYP11B1 (0.47) CYP11B1CYP11B2SMYD3XIAPBIRC2
SCHEMBL14361898 0.74 CYP11B1 (0.42) CYP11B1CYP11B2SMYD3TP53CMA1
SCHEMBL16744210 0.73 AHR (0.46) CYP11B1CYP11B2SMYD3GAACMA1
SCHEMBL20327167 0.73 ADRB2 (0.32) XIAPBIRC2
SCHEMBL16744219 0.72 KDM4E (0.35) GAA
SCHEMBL7689857 0.71 CYP11B1 (0.51) CYP11B1CYP11B2SMYD3TP53LMNA
SCHEMBL16746136 0.70 XIAP (0.36) CYP11B1CYP11B2XIAPBIRC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9315501-B2 Bicyclic heterocycles as BET protein inhibitors INCYTE CORPORATION (US) 2016-04-19 US disclosed
US-20150361093-A1 HIV REPLICATION INHIBITOR SHIONOGI & CO., LTD. (JP) 2015-12-17 US disclosed
US-20150148375-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2015-05-28 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 (2 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-20150148375-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 CYP11B1 2709/4885CYP11B2 2880/4885SMYD3 618/4885
US-20150361093-A1 HIV REPLICATION INHIBITOR RTF2, REV1, PCNA CYP11B1 2921/4885CYP11B2 3479/4885SMYD3 1156/4885

“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.