SCHEMBL8310909

SCHEMBL8310909

CC(C)C(=O)N[C@H](C)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
POLB P06746 2/20 0.64
CTDSP1 Q9GZU7 1/20 0.64
MMP9 P14780 2/20 0.62
MMP8 P22894 2/20 0.62
HSD17B10 Q99714 2/20 0.59
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 2/20 0.56
LMNA P02545 2/20 0.56
HPGD P15428 1/20 0.56
MAPT P10636 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
RECQL P46063 1/20 0.54
NPC1 O15118 1/20 0.54
MMP14 P50281 1/20 0.54
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53

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
SCHEMBL8313972 1.00 MEN1 (0.68) MEN1KMT2APOLBCTDSP1MMP9
SCHEMBL7855088 1.00 MEN1 (0.68) MEN1KMT2APOLBCTDSP1MMP9
SCHEMBL14135235 0.86 MEN1 (0.66) MEN1KMT2APOLBCTDSP1MMP9
SCHEMBL7551261 0.86 MEN1 (0.66) MEN1KMT2APOLBCTDSP1MMP9
SCHEMBL7551272 0.86 MEN1 (0.66) MEN1KMT2APOLBCTDSP1MMP9
SCHEMBL16714831 0.84 MEN1 (0.69) MEN1KMT2APOLBCTDSP1MMP9
SCHEMBL28408400 0.84 MEN1 (0.64) MEN1KMT2APOLBCTDSP1MMP9
SCHEMBL12640063 0.84 MEN1 (0.64) MEN1KMT2APOLBCTDSP1MMP9
SCHEMBL12310933 0.84 MEN1 (0.64) MEN1KMT2APOLBCTDSP1MMP9
SCHEMBL8974575 0.84 MEN1 (0.64) MEN1KMT2APOLBCTDSP1MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2024-01-18 US disclosed
US-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-03-07 US disclosed
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-12-16 US disclosed
US-8481750-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-α]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-09 US disclosed
US-20120178734-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-12 US disclosed
US-20120178734-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-12 US disclosed
US-7910609-B2 Inhibitors of integrin alpha2beta1 with modified urea moiety THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-03-22 US disclosed
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 US disclosed
US-20090197861-A1 INHIBITORS OF INTEGRIN ALPHA2BETA1 WITH MODIFIED UREA MOIETY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-06 US disclosed
US-7550458-B2 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
US-7531560-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-05-12 US disclosed
WO-2008144507-A2 SPIROOXINDOLE INHIBITORS OF AURORA KINASE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-11-27 WO disclosed
US-7217794-B2 Compounds and methods for treatment of thrombosis DAIAMED, INC. (US) 2007-05-15 US disclosed
US-7217794-B2 Compounds and methods for treatment of thrombosis DAIAMED, INC. (US) 2007-05-15 US disclosed
US-20070088029-A1 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2007-04-19 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
WO-2004089297-A2 COMPOUNDS AND METHODS FOR TREATMENT OF THROMBOSIS SUNTORY PHARMACEUTICAL RESEARCH LABORATORIES, LLC (US) 2004-10-21 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 (8 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-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use ITGB1, ITGB2, ITGA2 MEN1 4127/4885KMT2A 3209/4885POLB 1702/4885
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE ITGB1, ITGB2, ITGA2 MEN1 4127/4885KMT2A 3209/4885POLB 1702/4885
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, PIK3R4, PIK3R5 MEN1 1313/4885KMT2A 4426/4885POLB 4192/4885
US-20100298314-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK2, MAP4K2 MEN1 4216/4885KMT2A 2991/4885POLB 2431/4885
US-20120178734-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-a]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES ARG1, COL14A1, HPGDS MEN1 4841/4885KMT2A 2396/4885POLB 4566/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 MEN1 3032/4885KMT2A 1449/4885POLB 1939/4885
US-20070088029-A1 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function VDR, ESRRB, NR5A1 MEN1 3781/4885KMT2A 3983/4885POLB 2097/4885
US-20090197861-A1 INHIBITORS OF INTEGRIN ALPHA2BETA1 WITH MODIFIED UREA MOIETY ITGA2B, ITGA2, ITGB2 MEN1 4541/4885KMT2A 3126/4885POLB 1851/4885

“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.