SCHEMBL595998

SCHEMBL595998

CC(=O)c1ccc(C(C)Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
HPGD P15428 4/20 0.46
LMNA P02545 3/20 0.46
RAB9A P51151 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
HSD17B1 P14061 1/20 0.45
MAPK1 P28482 3/20 0.42
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 0.42
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 1/20 0.41
STAT3 P40763 1/20 0.41
STAT1 P42224 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
OPRD1 P41143 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
SCHEMBL508553 0.82 TSHR (0.55) HPGDKMT2ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL11612820 0.82 HDAC8 (0.42) LMNARAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL182327 0.81 CYP2C9 (0.55) MAPTHPGDLMNARAB9AL3MBTL1
SCHEMBL9683939 0.81 MAPT (0.50) MAPTHPGDLMNARAB9AL3MBTL1
SCHEMBL10365027 0.81 CYP2A6 (0.49) MAPTHPGDLMNARAB9AKMT2A
SCHEMBL27300787 0.80 PARP10 (0.52) MAPTL3MBTL1KMT2ASMN1; SMN2NOS1
Bromide SCHEMBL27719616 0.80 TSHR (0.52) HPGDKMT2ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL1597293 0.80 ALDH1A1 (0.41) HPGDLMNARAB9AL3MBTL1KMT2A
SCHEMBL1262317 0.79 MAPT (0.48) MAPTHPGDLMNARAB9AL3MBTL1
Hydrochloric Acid SCHEMBL5197216 0.79 CYP2C9 (0.53) MAPTHPGDLMNARAB9AL3MBTL1

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 83 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170275246-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR METABASIS THERAPEUTICS, INC. 2017-09-28 US disclosed
US-9701626-B2 Antagonists of the glucagon receptor METABASIS THERAPEUTICS, INC. (US) 2017-07-11 US disclosed
US-20160009639-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR METABASIS THERAPEUTICS INC (US) 2016-01-14 US disclosed
US-9169201-B2 Antagonists of the glucagon receptor METABASIS THERAPEUTICS, INC. (US) 2015-10-27 US disclosed
US-20140135400-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR METABASIS THERAPEUTICS, INC. (US) 2014-05-15 US disclosed
EP-1619211-B1 PROCESS FOR PRODUCTION OF LIVING-RADICAL POLYMERS AND POLYMERS OTSUKA CHEMICAL CO LTD (JP) 2012-10-17 EP disclosed
US-20120214769-A1 Novel Antagonists of the Glucagon Receptor METABASIS THERAPEUTICS, INC. (US) 2012-08-23 US disclosed
US-8114629-B2 Site specific incorporation of keto amino acids into proteins THE SCRIPPS RESEARCH INSTITUTE (US) 2012-02-14 US disclosed
US-20110318806-A1 SITE SPECIFIC INCORPORATION OF KETO AMINO ACIDS INTO PROTEINS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-12-29 US disclosed
US-8071344-B2 Biosynthesis; orthogonal tRNAs, orthogonal aminoacyl-tRNA synthetases THE SCRIPPS RESEARCH INSTITUTE (US) 2011-12-06 US disclosed
EP-1541550-A1 ORGANIC TELLURIUM COMPOUND, PROCESS FOR PRODUCING THE SAME, LIVING RADICAL POLYMERIZATION INITIATOR, PROCESS FOR PRODUCING POLYMER WITH THE SAME, AND POLYMER Otsuka Chemical Co., Ltd. (JP) 2005-06-15 EP disclosed
EP-1541592-A1 PROCESS FOR PRODUCTION OF LIVING RADICAL POLYMERS AND POLYMERS OTSUKA CHEMICAL COMPANY, LIMITED (JP) 2005-06-15 EP disclosed
EP-1534703-A2 ANTAGONISTS OF MELANIN CONCENTRATING HORMONE RECEPTOR ABBOTT LABORATORIES (US) 2005-06-01 EP disclosed
US-20040198637-A1 Polypeptide incorporating unnatural amino acid chemically bonded to solid support by a chemical linkage THE SCRIPPS RESEARCH INSTITUTE 2004-10-07 US disclosed
WO-2004058946-A2 PROTEIN ARRAYS THE SCRIPPS RESEARCH INSTITUTE (US) 2004-07-15 WO disclosed
US-20040138106-A1 Glycoprotein synthesis THE SCRIPPS RESEARCH INSTITUTE 2004-07-15 US disclosed
US-20040106645-A1 Antagonists of melanin concentrating hormone receptor MILLENNIUM PHARMACEUTICALS, INC. 2004-06-03 US disclosed
WO-2004035743-A2 SITE SPECIFIC INCORPORATION OF KETO AMINO ACIDS INTO PROTEINS THE SCRIPPS RESEARCH INSTITUTE (US) 2004-04-29 WO disclosed
WO-2004035605-A2 GLYCOPROTEIN SYNTHESIS THE SCRIPPS RESEARCH INSTITUTE (US) 2004-04-29 WO disclosed
WO-2003106452-A2 ANTAGONISTS OF MELANIN CONCENTRATING HORMONE RECEPTOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-12-24 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 (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-20160009639-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR GLP1R, GCGR, GPR119 MAPT 3346/4885HPGD 2678/4885LMNA 2993/4885
US-20040138106-A1 Glycoprotein synthesis UGGT1, ST6GAL1, ANPEP MAPT 4105/4885HPGD 1907/4885LMNA 3304/4885
US-20140135400-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR GLP1R, GCGR, GPR119 MAPT 3346/4885HPGD 2678/4885LMNA 2993/4885
US-20040106645-A1 Antagonists of melanin concentrating hormone receptor MCHR1, MCHR2, MC1R MAPT 4185/4885HPGD 1048/4885LMNA 3781/4885
US-20120214769-A1 Novel Antagonists of the Glucagon Receptor GLP1R, GCGR, GPR119 MAPT 3346/4885HPGD 2678/4885LMNA 2993/4885
US-20170275246-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR GLP1R, GCGR, GPR119 MAPT 3346/4885HPGD 2678/4885LMNA 2993/4885
US-20040198637-A1 Polypeptide incorporating unnatural amino acid chemically bonded to solid support by a chemical linkage DNPEP, NPEPPS, ANPEP MAPT 2216/4885HPGD 3848/4885LMNA 4155/4885

“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.