SCHEMBL789449

SCHEMBL789449

C=CC(F)(F)C(O)C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
APP P05067 1/20 0.33
HTT P42858 1/20 0.32
ALOX15 P16050 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SOAT1 P35610 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
HCAR2 Q8TDS4 1/20 0.31
TSHR P16473 1/20 0.31
GLO1 Q04760 1/20 0.31
POLB P06746 1/20 0.30
TRPA1 O75762 1/20 0.30
HDAC4 P56524 2/20 0.30
HDAC6 Q9UBN7 2/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL16081352 0.80 SMN1; SMN2 (0.33) HTT
SCHEMBL16850576 0.78 ALDH1A1 (0.35) ALDH1A1LMNAHSD17B10HTTALOX15
SCHEMBL19545305 0.78 HTT (0.31) HTT
SCHEMBL6762809 0.77 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10HTTALOX15
SCHEMBL16077769 0.70 CPT2 (0.32) LMNATSHR
SCHEMBL4093235 0.70 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10HTTALOX15
SCHEMBL28230301 0.70 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL1164307 0.70 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10HTTALOX15
SCHEMBL7787921 0.69 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10HTTALOX15
SCHEMBL8074523 0.69 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10HTTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116670140-A Macrocyclic compounds containing 1,3, 4-oxadiazole rings as modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-08-29 CN disclosed
EP-4192829-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-06-14 EP disclosed
CN-116171154-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-05-26 CN disclosed
US-20220041621-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2022-02-10 US disclosed
WO-2022032068-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-02-10 WO disclosed
EP-3825312-A1 INTERMEDIATES FOR PREPARING INHIBITORS OF HEPATITIS C VIRUS Gilead Pharmasset LLC (US) 2021-05-26 EP disclosed
CN-104829688-B Macrocyclic proline derived HCV serine protease inhibitors 益安药业 2021-02-09 CN disclosed
US-20200270303-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2020-08-27 US disclosed
US-10442792-B2 Synthetic route to anti-viral agents ABBVIE INC. (US) 2019-10-15 US disclosed
US-20190263860-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2019-08-29 US disclosed
US-20140274884-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. 2014-09-18 US disclosed
US-20140274884-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. 2014-09-18 US disclosed
WO-2014145095-A1 MACROCYCLIC AND BICYCLIC INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2014-09-18 WO disclosed
US-20140194350-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-20140194350-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-20140017198-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2014-01-16 US disclosed
US-20140017198-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2014-01-16 US disclosed
WO-2014008285-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2014-01-09 WO disclosed
US-20120070416-A1 Macrocyclic Proline Derived HCV Serine Protease Inhibitors ENANTA PHARMACEUTICALS, INC. 2012-03-22 US disclosed
US-20120070416-A1 Macrocyclic Proline Derived HCV Serine Protease Inhibitors ENANTA PHARMACEUTICALS, INC. 2012-03-22 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 (8 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-20190263860-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD ALDH1A1 1434/4885LMNA 3069/4885HSD17B10 1161/4885
US-20120070416-A1 Macrocyclic Proline Derived HCV Serine Protease Inhibitors PREP, PRSS1, PEPD ALDH1A1 1434/4885LMNA 3069/4885HSD17B10 1161/4885
US-20200270303-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD ALDH1A1 1434/4885LMNA 3069/4885HSD17B10 1161/4885
US-10442792-B2 Synthetic route to anti-viral agents ACE, ACE2, PREP ALDH1A1 4400/4885LMNA 3391/4885HSD17B10 3238/4885
US-20220041621-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B ALDH1A1 3972/4885LMNA 4099/4885HSD17B10 2742/4885
US-20140194350-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD ALDH1A1 1434/4885LMNA 3069/4885HSD17B10 1161/4885
US-20140274884-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, LIPC ALDH1A1 200/4885LMNA 2072/4885HSD17B10 220/4885
US-20140017198-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 ALDH1A1 112/4885LMNA 2502/4885HSD17B10 293/4885

“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.