SCHEMBL787390

SCHEMBL787390

COC(=O)C(C)C(N)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
DPP4 P27487 2/20 0.46
CYP3A4 P08684 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ADRA2A P08913 1/20 0.42
ADRA2C P18825 1/20 0.42
HIF1A Q16665 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL3286318 1.00 KMT2A (0.58) KMT2APTGS1PTGS2DPP4CYP3A4
SCHEMBL7880421 1.00 KMT2A (0.58) KMT2APTGS1PTGS2DPP4CYP3A4
SCHEMBL27865174 0.84 KMT2A (0.56) KMT2APTGS1PTGS2DPP4CYP3A4
SCHEMBL9098541 0.84 DPP4 (0.45) KMT2ADPP4CYP1A2CYP2D6TSHR
SCHEMBL27813870 0.82 MMP8 (0.51) KMT2ADPP4TSHRMEN1ALDH1A1
SCHEMBL4731036 0.81 KMT2A (0.58) KMT2APTGS1PTGS2DPP4CYP3A4
SCHEMBL12067910 0.81 KMT2A (0.58) KMT2APTGS1PTGS2DPP4CYP3A4
SCHEMBL487429 0.81 KMT2A (0.58) KMT2APTGS1PTGS2DPP4CYP3A4
SCHEMBL7357555 0.81 KMT2A (0.75) KMT2APTGS1PTGS2DPP4CYP3A4
SCHEMBL14626670 0.81 KMT2A (0.62) KMT2APTGS1PTGS2TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103980141-A Xtandi synthesis method UNIV SHANDONG 2014-08-13 CN claimed
US-20240174603-A1 MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME RAPPTA THERAPEUTICS OY (FI) 2024-05-30 US disclosed
EP-4288412-A1 MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME Rappta Therapeutics Oy (FI) 2023-12-13 EP disclosed
WO-2022167866-A1 MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME RAPPTA THERAPEUTICS OY (FI) 2022-08-11 WO disclosed
CN-104803919-A Preparation method of enzalutamide intermediate F SHANGHAI INST PHARM INDUSTRY 2015-07-29 CN disclosed
CN-104803918-A Preparation method of enzalutamide SHANGHAI INST PHARM INDUSTRY 2015-07-29 CN disclosed
CN-103980141-A Xtandi synthesis method UNIV SHANDONG 2014-08-13 CN disclosed
CN-103108549-A Method for synthesizing diarylthiohydantoin and diarylhydantoin compounds MEDIVATION PROSTATE THERAPEUTICS INC 2013-05-15 CN disclosed
US-20120071664-A1 BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME NDSU RESEARCH FOUNDATION (US) 2012-03-22 US disclosed
US-8034974-B2 Beta-amino acids and methods intermediates for making same NDSU RESEARCH FOUNDATION (US) 2011-10-11 US disclosed
US-20110218342-A1 BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME NORTH DAKOTA STATE UNIVERSITY 2011-09-08 US disclosed
CN-1328277-C Substituted pyrimidinone and pyridinone compounds and their use AMGEN INC (US) 2007-07-25 CN disclosed
CN-1284945-A Substituted pyriding and pyridazine compounds and their pharmaceutical use AMGEN INC (US) 2001-02-21 CN disclosed
CN-1246858-A Substituted pyrimidine compounds and their use AMGEN INC (US) 2000-03-08 CN disclosed
CN-1246857-A Substituted pyrimidinone and pyridinone compounds and their use AMGEN INC (US) 2000-03-08 CN 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 (3 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-20120071664-A1 BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME BCAT1, BCAT2, DAO KMT2A 2804/4885PTGS1 1004/4885PTGS2 702/4885
US-20240174603-A1 MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME PPM1A, PPP2CA, PPP3CA KMT2A 1632/4885PTGS1 1801/4885PTGS2 1094/4885
US-20110218342-A1 BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME BCAT1, BCAT2, DAO KMT2A 2804/4885PTGS1 1004/4885PTGS2 702/4885

“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.