SCHEMBL1932037

SCHEMBL1932037

O[C@H](c1ccc(-c2cccc(F)c2)cc1)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.55
PTPN1 P18031 1/20 0.54
TAAR1 Q96RJ0 3/20 0.50
FFAR1 O14842 1/20 0.45
CETP P11597 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
PDK2 Q15119 1/20 0.43
CYP11B2 P19099 2/20 0.41
CYP17A1 P05093 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP11B1 P15538 1/20 0.41
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
APP P05067 1/20 0.40
NT5E P21589 2/20 0.39
PTPN5 P54829 1/20 0.39

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
SCHEMBL309069 1.00 ESR2 (0.55) ESR2PTPN1TAAR1FFAR1CETP
SCHEMBL5443082 0.81 ALOX5 (0.47) ESR2PTPN1TAAR1FFAR1PDK2
SCHEMBL12534388 0.81 PTPN5 (0.45) PDK2HSD17B1HSD17B2APPPTPN5
SCHEMBL12628146 0.81 KIF11 (0.46) CYP3A4APPPTPN5
SCHEMBL4497165 0.81 KIF11 (0.46) CYP3A4APPPTPN5
SCHEMBL24720988 0.80 PTPN5 (0.57) CYP3A4APPPTPN5
SCHEMBL2420728 0.80 CES2 (0.49) PTPN1CETPAPP
SCHEMBL12534332 0.79 PRKCI (0.50) FFAR1CETPPDK2APPPTPN5
SCHEMBL1931183 0.78 FFAR1 (0.49) FFAR1CYP17A1CYP3A4
SCHEMBL5456164 0.78 PTPN5 (0.55) PDK2PTPN5

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 23 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
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-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-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-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
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
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 (4 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 ESR2 4526/4885PTPN1 3831/4885TAAR1 666/4885
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 ESR2 1361/4885PTPN1 2616/4885TAAR1 1351/4885
US-20090118505-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PHENYLALANINES PAH, TYR, NPEPPS ESR2 4138/4885PTPN1 2622/4885TAAR1 455/4885
US-20090048280-A1 Process for the preparation of substituted phenylalanines PAH, TYR, NPEPPS ESR2 4138/4885PTPN1 2622/4885TAAR1 455/4885

“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.