SCHEMBL426339

SCHEMBL426339

O=C1CC(c2ccc(F)cc2)C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP1LC3B Q9GZQ8 1/20 0.53
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
KDM1A O60341 2/20 0.46
ALPL P05186 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
ATM Q13315 1/20 0.41
GSK3B P49841 1/20 0.41
BACE1 P56817 1/20 0.41
LIG1 P18858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PIM1 P11309 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
CSNK1G1 Q9HCP0 1/20 0.40
MAOB P27338 3/20 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
SCHEMBL1780602 0.91 MAPT (0.63) MAP1LC3BGAAMAPTKDM1AALPL
Formic Acid Methyl Ester SCHEMBL28834584 0.85 MAP1LC3B (0.50) MAP1LC3BGAAMAPTKDM1AALPL
SCHEMBL717834 0.83 ESR2 (0.50) MAP1LC3BGAAMAPTKDM1AALPL
SCHEMBL14492200 0.80 GSK3B (0.53) MAP1LC3BGAAMAPTALPLL3MBTL1
SCHEMBL658679 0.80 MAP1LC3B (0.49) MAP1LC3BALPLL3MBTL1TDP1ATM
SCHEMBL715319 0.80 ESR2 (0.50) MAP1LC3BGAAMAPTALPLL3MBTL1
SCHEMBL18980759 0.80 ESR2 (0.50) MAP1LC3BGAAMAPTALPLL3MBTL1
SCHEMBL745535 0.77 ESR2 (0.64) MAP1LC3BKDM1AALPLTDP1LIG1
SCHEMBL10672428 0.77 MAPT (0.77) MAP1LC3BGAAMAPTTDP1SMN1; SMN2
SCHEMBL4138165 0.77 MAP1LC3B (0.50) MAP1LC3BALPLL3MBTL1TDP1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3555055-B1 HYDROXY ISOXAZOLE COMPOUNDS USEFUL AS GPR120 AGONISTS MERCK SHARP & DOHME LLC (US) 2022-08-03 EP disclosed
US-10864211-B2 Hydroxy isoxazole compounds useful as GPR120 agonists MERCK SHARP & DOHME CORP. (US) 2020-12-15 US disclosed
WO-2019244066-A2 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2019-12-26 WO disclosed
EP-3555055-A1 HYDROXY ISOXAZOLE COMPOUNDS USEFUL AS GPR120 AGONISTS Merck Sharp & Dohme Corp. (US) 2019-10-23 EP disclosed
US-20190269679-A1 HYDROXY ISOXAZOLE COMPOUNDS USEFUL AS GPR120 AGONISTS MERCK SHARP & DOHME CORP. (US) 2019-09-05 US disclosed
WO-2018111734-A1 HYDROXY ISOXAZOLE COMPOUNDS USEFUL AS GPR120 AGONISTS MERCK SHARP & DOHME CORP. (US) 2018-06-21 WO disclosed
EP-2881384-B1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO LTD (JP) 2018-05-30 EP disclosed
US-9738642-B2 Triazolopyridine ether derivatives and their use in neurological and pyschiatric disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 US disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 US disclosed
US-20160237081-A1 TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS BRISTOL MYERS SQUIBB CO (US) 2016-08-18 US disclosed
EP-2881384-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2015-06-10 EP disclosed
WO-2015042243-A1 TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-26 WO disclosed
EP-2481735-A1 Substituted heterocyclic derivatives and compositions and their pharmaceutical use as antibacterials Pfizer Inc. (US) 2012-08-01 EP disclosed
US-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2012-03-15 US disclosed
US-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2012-03-15 US disclosed
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions PFIZER INC. 2011-04-21 US disclosed
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions PFIZER INC. 2011-04-21 US disclosed
WO-2008139288-A2 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND COMPOSITIONS AND THEIR PHARMACEUTICAL USE AS ANTIBACTERIALS PFIZER INC. (US) 2008-11-20 WO disclosed
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2008-11-13 US disclosed
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2008-11-13 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 (6 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-10864211-B2 Hydroxy isoxazole compounds useful as GPR120 agonists GPR119, GPR88, GPR180 MAP1LC3B 2088/4885GAA 1311/4885MAPT 4490/4885
US-20160237081-A1 TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS GRM2, GRIK2, GRIA2 MAP1LC3B 1049/4885GAA 1865/4885MAPT 396/4885
US-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 MAP1LC3B 4835/4885GAA 2370/4885MAPT 4323/4885
US-20190269679-A1 HYDROXY ISOXAZOLE COMPOUNDS USEFUL AS GPR120 AGONISTS GPR119, GPR88, GPR180 MAP1LC3B 2088/4885GAA 1311/4885MAPT 4490/4885
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 MAP1LC3B 4835/4885GAA 2370/4885MAPT 4323/4885
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions XDH, CYP2D6, F12 MAP1LC3B 4835/4885GAA 2370/4885MAPT 4323/4885

“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.