SCHEMBL1932415

SCHEMBL1932415

Cc1ccc([C@@H](O)C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
ACHE P22303 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
NR1I2 O75469 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
ALOX5 P09917 1/20 0.34
MLYCD O95822 1/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
OGA O60502 1/20 0.34
KDM5B Q9UGL1 1/20 0.34

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
SCHEMBL1932757 1.00 CHRNA7 (0.39) CHRNA7ESR1ESR2ACHETDP1
SCHEMBL307896 1.00 CHRNA7 (0.39) CHRNA7ESR1ESR2ACHETDP1
SCHEMBL14593355 0.87 ESR1 (0.48) ESR1ESR2NR1I2CES2CES1
SCHEMBL5755708 0.82 CA2 (0.38) CHRNA7ESR1ESR2ACHETDP1
SCHEMBL24408950 0.81 PTPN5 (0.43) ESR1ESR2NR1I2OGAKDM5B
SCHEMBL24408977 0.81 PTPN5 (0.43) ESR1ESR2NR1I2OGAKDM5B
SCHEMBL14701578 0.81 PTPN5 (0.43) ESR1ESR2NR1I2OGAKDM5B
SCHEMBL2175953 0.78 ESR1 (0.65) ESR1ESR2TDP1CA2CA1
SCHEMBL1272903 0.78 NR1I2 (0.41) ESR1ESR2NR1I2CES2CES1
SCHEMBL1273068 0.78 NR1I2 (0.41) ESR1ESR2NR1I2CES2CES1

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
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-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
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 CHRNA7 1977/4885ESR1 4674/4885ESR2 4526/4885
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 CHRNA7 2836/4885ESR1 3923/4885ESR2 1361/4885
US-20090118505-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PHENYLALANINES PAH, TYR, NPEPPS CHRNA7 3118/4885ESR1 3868/4885ESR2 4138/4885
US-20090048280-A1 Process for the preparation of substituted phenylalanines PAH, TYR, NPEPPS CHRNA7 3118/4885ESR1 3868/4885ESR2 4138/4885

“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.