SCHEMBL1812939

SCHEMBL1812939

COc1cccc(-c2ccc([C@@H](Oc3cc(-c4ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc4)nc(N)n3)C(F)(F)F)cc2)c1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 16/20 0.76
TPH2 Q8IWU9 10/20 0.76
F2 P00734 1/20 0.42
ESR1 P03372 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
DRD1 P21728 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
AGTR1 P30556 1/20 0.42
SLC6A4 P31645 1/20 0.42
CCKAR P32238 1/20 0.42
PTGS2 P35354 1/20 0.42
DRD3 P35462 1/20 0.42
SLC6A3 Q01959 1/20 0.42
PTGDR Q13258 1/20 0.42
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
PTPN1 P18031 1/20 0.41
ACE P12821 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
SCHEMBL1812947 1.00 TPH1 (0.76) TPH1TPH2F2ESR1ADORA3
SCHEMBL613471 0.92 TPH1 (0.63) TPH1TPH2F2ESR1ADORA3
SCHEMBL12534386 0.91 TPH1 (0.63) TPH1TPH2F2ESR1ADORA3
SCHEMBL612056 0.91 TPH1 (0.62) TPH1TPH2F2ESR1ADORA3
SCHEMBL612058 0.91 TPH1 (0.62) TPH1TPH2F2ESR1ADORA3
SCHEMBL12534330 0.91 TPH1 (0.62) TPH1TPH2F2ESR1ADORA3
SCHEMBL612057 0.91 TPH1 (0.62) TPH1TPH2F2ESR1ADORA3
SCHEMBL870548 0.91 TPH1 (0.79) TPH1TPH2F2ESR1ADORA3
SCHEMBL871293 0.91 TPH1 (0.79) TPH1TPH2F2ESR1ADORA3
SCHEMBL609672 0.88 TPH1 (0.58) TPH1TPH2F2ESR1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450532-B2 Compounds useful in the preparation of tryptophan hydroxylase inhibitors LEXICON PHARMACEUTICALS, INC. (US) 2013-05-28 US disclosed
US-8450532-B2 Compounds useful in the preparation of tryptophan hydroxylase inhibitors LEXICON PHARMACEUTICALS, INC. (US) 2013-05-28 US disclosed
US-8450532-B2 Compounds useful in the preparation of tryptophan hydroxylase inhibitors LEXICON PHARMACEUTICALS, INC. (US) 2013-05-28 US disclosed
US-20110130564-A1 COMPOUNDS USEFUL IN THE PREPARATION OF TRYPTOPHAN HYDRROXYLASE INHIBITORS TERSERA THERAPEUTICS LLC 2011-06-02 US disclosed
US-20110130564-A1 COMPOUNDS USEFUL IN THE PREPARATION OF TRYPTOPHAN HYDRROXYLASE INHIBITORS TERSERA THERAPEUTICS LLC 2011-06-02 US disclosed
US-20110130564-A1 COMPOUNDS USEFUL IN THE PREPARATION OF TRYPTOPHAN HYDRROXYLASE INHIBITORS TERSERA THERAPEUTICS LLC 2011-06-02 US disclosed
WO-2011063072-A2 PROCESS FOR THE PREPARATION OF SUBSTITUTED PHENYLALANINES LEXICON PHARMACEUTICALS, INC. (US) 2011-05-26 WO disclosed
US-20110124865-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PHENYLALANINES LEXICON PHARMACEUTICALS, INC. 2011-05-26 US disclosed
US-7897763-B2 Process for the preparation of substituted phenylalanines LEXICON PHARMACEUTICALS, INC. (US) 2011-03-01 US disclosed
US-7897763-B2 Process for the preparation of substituted phenylalanines LEXICON PHARMACEUTICALS, INC. (US) 2011-03-01 US disclosed
US-7855291-B2 Process for the preparation of substituted phenylalanines LEXICON PHARMACEUTICALS, INC. (US) 2010-12-21 US disclosed
US-7855291-B2 Process for the preparation of substituted phenylalanines LEXICON PHARMACEUTICALS, INC. (US) 2010-12-21 US disclosed
WO-2010047712-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PHENYLALANINES LEXICON PHARMACEUTICALS, INC. (US) 2010-04-29 WO disclosed
US-20090118505-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PHENYLALANINES TERSERA THERAPEUTICS LLC 2009-05-07 US disclosed
US-20090118505-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PHENYLALANINES TERSERA THERAPEUTICS LLC 2009-05-07 US disclosed
US-20090099206-A1 SOLID FORMS OF (S)-2-AMINO-3-(4-(2-AMINO-6-((R)-2,2,2-TRIFLUORO-1-(3'-METHOXYBIPHENYL-4-YL)ETHOXY)PYRIMIDIN-4-YL)PHENYL)PROPANOIC ACID AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-20090099206-A1 SOLID FORMS OF (S)-2-AMINO-3-(4-(2-AMINO-6-((R)-2,2,2-TRIFLUORO-1-(3'-METHOXYBIPHENYL-4-YL)ETHOXY)PYRIMIDIN-4-YL)PHENYL)PROPANOIC ACID AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2009-04-16 US disclosed
WO-2009048864-A1 SOLID FORMS OF (S)-2-AMINO-3-(4-(2-AMINO-6-((R)-2,2,2-TRIFLUORO-1-(3'-METHOXYBIPHENYL-4-YL)ETHOXY)PYRIMIDIN-4-YL)PHENYL)PROPANOIC ACID AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2009-04-16 WO disclosed
US-20090048280-A1 Process for the preparation of substituted phenylalanines TERSERA THERAPEUTICS LLC 2009-02-19 US disclosed
US-20090048280-A1 Process for the preparation of substituted phenylalanines TERSERA THERAPEUTICS LLC 2009-02-19 US 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 (5 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-20110130564-A1 COMPOUNDS USEFUL IN THE PREPARATION OF TRYPTOPHAN HYDRROXYLASE INHIBITORS TPH1, TPH2, PAH TPH1 1/4885TPH2 2/4885F2 707/4885
US-20090099206-A1 SOLID FORMS OF (S)-2-AMINO-3-(4-(2-AMINO-6-((R)-2,2,2-TRIFLUORO-1-(3'-METHOXYBIPHENYL-4-YL)ETHOXY)PYRIMIDIN-4-YL)PHENYL)PROPANOIC ACID AND METHODS OF THEIR USE PCCA, ANXA6, CPS1 TPH1 2318/4885TPH2 1196/4885F2 483/4885
US-20090118505-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PHENYLALANINES PAH, TYR, NPEPPS TPH1 28/4885TPH2 64/4885F2 490/4885
US-20110124865-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PHENYLALANINES PAH, NPEPPS, DNPEP TPH1 73/4885TPH2 106/4885F2 600/4885
US-20090048280-A1 Process for the preparation of substituted phenylalanines PAH, TYR, NPEPPS TPH1 28/4885TPH2 64/4885F2 490/4885

“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.