SCHEMBL812166

SCHEMBL812166

C[C@@H](C(=O)O)[C@@H](C)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.57
SLC7A5 Q01650 2/20 0.44
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.40
RECQL P46063 1/20 0.40
FFAR3 O14843 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
GABRR1 P24046 2/20 0.38
RNPEP Q9H4A4 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL812149 1.00 TP53 (0.57) TP53SLC7A5TSHRLMNAALDH1A1
SCHEMBL715386 1.00 TP53 (0.57) TP53SLC7A5TSHRLMNAALDH1A1
SCHEMBL83830 1.00 TP53 (0.57) TP53SLC7A5TSHRLMNAALDH1A1
SCHEMBL13310465 1.00 TP53 (0.57) TP53SLC7A5TSHRLMNAALDH1A1
SCHEMBL6735445 0.96 TP53 (0.53) TP53SLC7A5TSHRLMNAALDH1A1
SCHEMBL11445671 0.96 TP53 (0.53) TP53SLC7A5TSHRLMNAALDH1A1
SCHEMBL11445718 0.96 TP53 (0.53) TP53SLC7A5TSHRLMNAALDH1A1
SCHEMBL9635648 0.89 TP53 (0.47) TP53SLC7A5TSHRLMNAALDH1A1
SCHEMBL25575130 0.86 TP53 (0.44) TP53SLC7A5TSHRALDH1A1FFAR3
SCHEMBL10570748 0.86 TP53 (0.44) TP53SLC7A5TSHRALDH1A1FFAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357347-A1 MODULATORS OF G-PROTEIN COUPLED RECEPTORS CARMOT THERAPEUTICS, INC. 2023-11-09 US disclosed
US-11718586-B2 Method for preparing dexmedetomidine NORCHIM (FR) 2023-08-08 US disclosed
US-8962858-B2 Methods and compounds useful in the synthesis of fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-24 US disclosed
US-20140309429-A1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2014-10-16 US disclosed
US-8802871-B2 Methods and compounds useful in the synthesis of fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-08-12 US disclosed
US-20130197244-A1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-01 US disclosed
US-8426584-B2 Methods and compounds useful in the synthesis of fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-04-23 US disclosed
US-20120190848-A1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-07-26 US disclosed
US-7906676-B2 Process for preparing 3-amino-5-fluoro-4-dialkoxypentanoic acid ester LG LIFE SCIENCES LTD. (KR) 2011-03-15 US disclosed
US-7781427-B2 Process for preparing quinoline compounds and products obtained therefrom WYETH LLC (US) 2010-08-24 US disclosed
US-7572916-B2 Diastereoselective synthesis process with 6-bromo-4-(3-chlorophenyl)-2-methoxy-quinoline JANSSEN PHARMACEUTICA NV (BE) 2009-08-11 US disclosed
US-7524961-B2 Diastereoselective addition of lithiated N-methylimidazole on sulfinimines JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-28 US disclosed
US-7456287-B2 Diastereoselective synthesis process for the preparation of imidazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-25 US disclosed
US-20070293679-A1 Diastereoselective Addition of Lithiated N-Methylimidazole on Sulfinimines JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-20 US disclosed
US-20070293680-A1 For the preparation of (R)-(+)-6-[amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl) methyl]-4-(3-chlorophenyl)-1-methyl2(1H)-quinolinone; farnesyl tranferase inhibitory activity JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-20 US disclosed
US-20070238880-A1 Diastereoselective Synthesis Process for the Preparation of Imidazole Compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-11 US disclosed
US-20070197604-A1 Oxazole derivatives as histamine h3 receptor agents,preparation and therapeutic uses ELI LILLY AND COMPANY 2007-08-23 US disclosed
US-20070197604-A1 Oxazole derivatives as histamine h3 receptor agents,preparation and therapeutic uses ELI LILLY AND COMPANY 2007-08-23 US disclosed
EP-0561758-A2 Method of preparing optically active homo-beta-amino acids MONSANTO COMPANY (US) 1993-09-22 EP disclosed
EP-0341713-A2 Optically active compounds, liquid crystal compositions comprising said compounds, and liquid crystal optical modulators using said compositions HITACHI, LTD. (JP) 1989-11-15 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 (9 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-20230357347-A1 MODULATORS OF G-PROTEIN COUPLED RECEPTORS GIPR, GLP1R, GCGR TP53 2664/4885SLC7A5 2798/4885TSHR 140/4885
US-11718586-B2 Method for preparing dexmedetomidine ADH1C, ADH1A, ADH5 TP53 4869/4885SLC7A5 4001/4885TSHR 708/4885
US-20070197604-A1 Oxazole derivatives as histamine h3 receptor agents,preparation and therapeutic uses HCRTR1, HRH3, HCRTR2 TP53 4782/4885SLC7A5 1926/4885TSHR 222/4885
US-20140309429-A1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF FUSED AMINODIHYDROTHIAZINE DERIVATIVES APP, BACE1, BACE2 TP53 877/4885SLC7A5 510/4885TSHR 4545/4885
US-20070293680-A1 For the preparation of (R)-(+)-6-[amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl) methyl]-4-(3-chlorophenyl)-1-methyl2(1H)-quinolinone; farnesyl tranferase inhibitory activity FNTB, CYP4F2, FNTA TP53 4507/4885SLC7A5 1047/4885TSHR 2131/4885
US-20130197244-A1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF FUSED AMINODIHYDROTHIAZINE DERIVATIVES APP, BACE1, BACE2 TP53 877/4885SLC7A5 510/4885TSHR 4545/4885
US-20070238880-A1 Diastereoselective Synthesis Process for the Preparation of Imidazole Compounds DHPS, CYP2S1, CYP1A2 TP53 4389/4885SLC7A5 1434/4885TSHR 3963/4885
US-20070293679-A1 Diastereoselective Addition of Lithiated N-Methylimidazole on Sulfinimines SULT1A1, SULT1E1, CSNK1A1L TP53 4067/4885SLC7A5 1855/4885TSHR 3785/4885
US-20120190848-A1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF FUSED AMINODIHYDROTHIAZINE DERIVATIVES APP, BACE1, BACE2 TP53 877/4885SLC7A5 510/4885TSHR 4545/4885

“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.