SCHEMBL5775733

SCHEMBL5775733

ON=C(Cl)c1c(F)cccc1F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.46
CES1 P23141 3/20 0.46
ALDH1A1 P00352 2/20 0.37
ALOX15 P16050 1/20 0.37
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 4/20 0.34
TDP1 Q9NUW8 2/20 0.33
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
TYK2 P29597 2/20 0.32
HTT P42858 1/20 0.32
NOD2 Q9HC29 1/20 0.32
BCHE P06276 1/20 0.32

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
SCHEMBL20136432 1.00 CES2 (0.46) CES2CES1ALDH1A1ALOX15LMNA
SCHEMBL10332608 1.00 CES2 (0.46) CES2CES1ALDH1A1ALOX15LMNA
SCHEMBL11893724 0.87 ALDH1A1 (0.48) CES2CES1ALDH1A1LMNAMEN1
SCHEMBL29387927 0.87 ALDH1A1 (0.48) CES2CES1ALDH1A1LMNAMEN1
SCHEMBL11911197 0.87 ALDH1A1 (0.48) CES2CES1ALDH1A1LMNAMEN1
SCHEMBL5772875 0.87 ALDH1A1 (0.48) CES2CES1ALDH1A1LMNAMEN1
SCHEMBL23277094 0.86 CES2 (0.39) CES2CES1ALDH1A1ALOX15LMNA
SCHEMBL19900564 0.86 CES2 (0.39) CES2CES1ALDH1A1ALOX15LMNA
SCHEMBL21216773 0.86 ACHE (0.41) CES2CES1ALDH1A1ALOX15LMNA
SCHEMBL23731404 0.86 CES2 (0.39) CES2CES1ALDH1A1ALOX15LMNA

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators ARDELYX, INC. (US) 2023-08-08 US disclosed
US-20210300927-A1 ISOXAZOLYL-CARBONYLOXY AZABICYCLO[3.2.1]OCTANYL COMPOUNDS AS FXR ACTIVATORS ARDELYX, INC. (US) 2021-09-30 US disclosed
US-11091482-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators ARDELYX, INC. (US) 2021-08-17 US disclosed
CN-108430998-B Azabicyclo derivatives, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2021-07-09 CN disclosed
US-20190308973-A1 ISOXAZOLYL-CARBONYLOXY AZABICYCLO[3.2.1]OCTANYL COMPOUNDS AS FXR ACTIVATORS ARDELYX, INC. 2019-10-10 US disclosed
US-10370370-B2 Aminobenzisoxazole compounds as agonists of α7-nicotinic acetylcholine receptors AXOVANT SCIENCES GMBH (CH) 2019-08-06 US disclosed
US-20180134696-A1 Aminobenzisoxazole Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors FORUM PHARMACEUTICALS, INC. 2018-05-17 US disclosed
WO-2018039384-A1 ISOXAZOLYL-CARBONYLOXY AZABICYCLO[3.2.1]OCTANYL COMPOUNDS AS FXR ACTIVATORS ARDELYX, INC. (US) 2018-03-01 WO disclosed
EP-1224189-B1 CONDENSED DIHYDROQUINOLINONE DERIVATIVES FOR INHIBITING MRP1 LILLY CO ELI (US) 2006-01-25 EP disclosed
US-20040077675-A1 Compounds and methods for inhibiting MRP1 BONJOUKLIAN ROSANNE (US) 2004-04-22 US disclosed
US-6670373-B1 Inhibiting resistant neoplasms where the resistance is conferred by multidrug resistance protein; N-3,4,5-trimethoxyphenyl-3-(3-azidomethyl-isoxazolo(4,5-c) -1,2-dihydro-6-chloro-quinolin-2-on-1-yl)phenylacetamide ELI LILLY AND COMPANY 2003-12-30 US disclosed
EP-1224189-A2 CONDENSED DIHYDROQUINOLINONE DERIVATIVES FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2002-07-24 EP disclosed
WO-2001027116-A2 CONDENSED DIHYDROQUINOLINONE DERIVATIVES FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2001-04-19 WO disclosed
US-4931465-A PESTICIDES, FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1990-06-05 US disclosed
US-4886832-A Fungicidal benzaldoxime derivatives BAYER AKTIENGESELLSCHAFT (DE) 1989-12-12 US disclosed
EP-0283777-A1 Benzaldoxime derivatives BAYER AG (DE) 1988-09-28 EP disclosed
CN-88101280-A BENZALDOXIME CARBAMATE DERIVATIVES 1988-09-21 CN disclosed
EP-0281909-A2 Benzaldoxime-carbamate derivatives BAYER AG (DE) 1988-09-14 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 (7 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-11091482-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators FXR1, FXR2, NR1H4 CES2 4381/4885CES1 475/4885ALDH1A1 968/4885
US-20190308973-A1 ISOXAZOLYL-CARBONYLOXY AZABICYCLO[3.2.1]OCTANYL COMPOUNDS AS FXR ACTIVATORS FXR1, FXR2, NR1H4 CES2 4381/4885CES1 475/4885ALDH1A1 968/4885
US-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators FXR1, FXR2, NR1H4 CES2 4381/4885CES1 475/4885ALDH1A1 968/4885
US-10370370-B2 Aminobenzisoxazole compounds as agonists of α7-nicotinic acetylcholine receptors CHRNA7, CHRNA5, CHRNA2 CES2 679/4885CES1 823/4885ALDH1A1 2556/4885
US-20210300927-A1 ISOXAZOLYL-CARBONYLOXY AZABICYCLO[3.2.1]OCTANYL COMPOUNDS AS FXR ACTIVATORS FXR1, FXR2, NR1H4 CES2 4381/4885CES1 475/4885ALDH1A1 968/4885
US-20040077675-A1 Compounds and methods for inhibiting MRP1 ABCC1, ABCB1, ABCB11 CES2 791/4885CES1 243/4885ALDH1A1 212/4885
US-20180134696-A1 Aminobenzisoxazole Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors CHRNA7, CHRNA5, CHRNA2 CES2 647/4885CES1 843/4885ALDH1A1 2821/4885

“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.