SCHEMBL804233

SCHEMBL804233

CC(C(=O)O)C(N)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.54
LMNA P02545 3/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2C P18825 1/20 0.48
HIF1A Q16665 1/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP2D6 P10635 1/20 0.48
SRC P12931 1/20 0.48
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.46
ALOX5 P09917 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
SCHEMBL804146 1.00 DPP4 (0.54) DPP4LMNAADRA2AADRA2CHIF1A
SCHEMBL16967371 1.00 DPP4 (0.54) DPP4LMNAADRA2AADRA2CHIF1A
SCHEMBL3886489 1.00 DPP4 (0.54) DPP4LMNAADRA2AADRA2CHIF1A
SCHEMBL5862033 1.00 DPP4 (0.54) DPP4LMNAADRA2AADRA2CHIF1A
SCHEMBL4674647 1.00 DPP4 (0.54) DPP4LMNAADRA2AADRA2CHIF1A
SCHEMBL7415779 1.00 DPP4 (0.54) DPP4LMNAADRA2AADRA2CHIF1A
Hydrochloric Acid SCHEMBL5860905 0.98 DPP4 (0.52) DPP4LMNAADRA2AADRA2CHIF1A
SCHEMBL7710838 0.85 DPP4 (0.52) DPP4LMNAADRA2AADRA2CHIF1A
SCHEMBL4676515 0.85 ALOX5 (0.53) DPP4LMNAADRA2AADRA2CHIF1A
SCHEMBL25178201 0.83 ESR1 (0.46) LMNAHIF1AKDM4ECYP2D6SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103980141-A Xtandi synthesis method UNIV SHANDONG 2014-08-13 CN claimed
WO-2021081110-A2 PEPTIDES AND USE THEREOF ANEXIGEN, INC. (US) 2021-04-29 WO disclosed
CN-107954936-A A kind of method for preparing deuterated Imidazole diketone compound 成都海创药业有限公司 2018-04-24 CN disclosed
CN-104470895-B The purposes of N [3 (2 carboxy ethyl) phenyl] piperidinyl-1 yl acetamide derivatives and its activator as soluble guanylate cyclase 拜耳制药股份公司 2017-04-05 CN disclosed
CN-106164052-A For the method preparing grace miscellaneous Shandong amine 赞蒂瓦有限合伙公司 2016-11-23 CN 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-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
EP-1686999-B1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2009-07-01 EP disclosed
EP-1828144-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI Pharmaceuticals, Inc. (US) 2007-09-05 EP disclosed
CN-1905884-A Pyrazole derivatives as inhibitors of receptor tyrosyne kinases ASTRAZENECA AB (SE) 2007-01-31 CN disclosed
US-20070010579-A1 Copper salts of organic acids and use thereof as fungicides ISARGO S.P.A. (IT) 2007-01-11 US disclosed
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 US disclosed
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 WO disclosed
US-5856311-A Derivatives of β-aminopropionic acid with a fungicidal activity ISAGRO RICERCA SRL (IT) 1999-01-05 US disclosed
EP-0843967-A1 Use of Beta-aminopropionic acid derivatives as fungicides ISAGRO RICERCA S.r.l. (IT) 1998-05-27 EP disclosed
EP-0718280-A2 Derivatives of beta-aminopropionic acid with a fungicidal activity ISAGRO RICERCA S.r.l. (IT) 1996-06-26 EP 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 DPP4 2087/4885LMNA 755/4885ADRA2A 424/4885
US-20070010579-A1 Copper salts of organic acids and use thereof as fungicides AOC3, AOC2, AOC1 DPP4 2756/4885LMNA 4331/4885ADRA2A 3024/4885
US-20060116383-A1 Integrin antagonists useful as anticancer agents ITGB5, ITGA5, ITGB1 DPP4 3614/4885LMNA 1740/4885ADRA2A 846/4885

“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.