SCHEMBL12545596

SCHEMBL12545596

CC(C)c1ccc2c(c1)C(C)(C)C(=O)N2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.52
PDK4 Q16654 1/20 0.52
PGR P06401 10/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
XBP1 P17861 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
MDM2 Q00987 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PDE3B Q13370 5/20 0.49
PDE3A Q14432 5/20 0.49
HPGD P15428 1/20 0.46
GFER P55789 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL15457685 0.86 PDK2 (0.52) PDK2PDK4PGRMEN1KMT2A
SCHEMBL5008650 0.83 PGR (0.47) PDK2PDK4PGRPDE3BPDE3A
SCHEMBL22643833 0.83 MEN1 (0.47) PDK2PDK4PGRMEN1KMT2A
SCHEMBL23612470 0.81 KMT2A (0.51) PDK2PDK4PGRMEN1KMT2A
SCHEMBL22279969 0.79 HPGD (0.48) PDK2PDK4PGRMEN1KMT2A
SCHEMBL22643827 0.79 PGR (0.49) PGRMEN1KMT2AALDH1A1LMNA
SCHEMBL24026026 0.77 PGR (0.51) PGRMEN1KMT2AALDH1A1LMNA
SCHEMBL22643832 0.77 PGR (0.51) PGRMEN1KMT2AALDH1A1LMNA
SCHEMBL22643834 0.76 PGR (0.52) PGRMEN1KMT2AALDH1A1LMNA
SCHEMBL2007119 0.76 CYP1A2 (0.66) PDK2PDK4PGRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210355112-A1 MODULATORS OF THR-BETA AND METHODS OF USE THEREOF ALIGOS THERAPEUTICS, INC. (US) 2021-11-18 US disclosed
US-11091467-B2 Modulators of THR-β and methods of use thereof ALIGOS THERAPEUTICS, INC. (US) 2021-08-17 US disclosed
US-11052092-B2 N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)acetamide derivatives and related compounds as ROR-gamma modulators for treating autoimmune diseases GENFIT (FR) 2021-07-06 US disclosed
US-20200354345-A1 MODULATORS OF THR-BETA AND METHODS OF USE THEREOF ALIGOS THERAPEUTICS, INC. (US) 2020-11-12 US disclosed
US-10040781-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2018-08-07 US disclosed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-8642582-B2 Morpholinone compounds as factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-04 US disclosed
US-8642582-B2 Morpholinone compounds as factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-04 US disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 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 (7 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-20210355112-A1 MODULATORS OF THR-BETA AND METHODS OF USE THEREOF THRB, THRA, TRHR PDK2 2734/4885PDK4 2495/4885PGR 1299/4885
US-11052092-B2 N-{[2-(piperidin-1-yl)phenyl](phenyl)methyl}-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)acetamide derivatives and related compounds as ROR-gamma modulators for treating autoimmune diseases RORA, RORC, RORB PDK2 1907/4885PDK4 1116/4885PGR 2539/4885
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 PDK2 4448/4885PDK4 4609/4885PGR 2406/4885
US-20200354345-A1 MODULATORS OF THR-BETA AND METHODS OF USE THEREOF THRB, THRA, TRHR PDK2 2734/4885PDK4 2495/4885PGR 1299/4885
US-10040781-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS PDK2 976/4885PDK4 1636/4885PGR 3243/4885
US-11091467-B2 Modulators of THR-β and methods of use thereof THRB, THRA, TRHR PDK2 2666/4885PDK4 2435/4885PGR 1006/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 PDK2 4448/4885PDK4 4609/4885PGR 2406/4885

“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.