SCHEMBL21111534

SCHEMBL21111534

CC(C)(C)OC(=O)COc1cc(Cl)c(C=O)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.41
PSEN2 P49810 3/20 0.41
APH1B Q8WW43 3/20 0.41
NCSTN Q92542 3/20 0.41
APH1A Q96BI3 3/20 0.41
PSENEN Q9NZ42 3/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTPN1 P18031 1/20 0.38
ACLY P53396 2/20 0.38
TNFRSF1A P19438 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL18002539 0.84 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1250518 0.83 LMNA (0.53) MAPTLMNACYP2C9HPGDCYP2C19
SCHEMBL21111524 0.82 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30087228 0.82 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14455033 0.82 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL558160 0.80 POLB (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5914742 0.80 MAPT (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22588321 0.79 MCL1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4416927 0.78 MCL1 (0.50) LMNAHPGDCYP2C19KMT2AMCL1
SCHEMBL1251479 0.77 STING1 (0.33) ACLYMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240425437-A1 DERIVATIVES OF SOBETIROME OREGON HEALTH & SCIENCE UNIVERSITY (US) 2024-12-26 US disclosed
US-11578032-B2 Derivatives of sobetirome OREGON HEALTH & SCIENCE UNIVERSITY (US) 2023-02-14 US disclosed
US-11578032-B2 Derivatives of sobetirome OREGON HEALTH & SCIENCE UNIVERSITY (US) 2023-02-14 US disclosed
EP-3936497-A1 PROCESS FOR THE PREPARATION OF DERIVATIVES OF SOBETIROME Oregon Health & Science University (US) 2022-01-12 EP disclosed
CN-113277958-A Subtiprotero derivatives 俄勒冈健康科学大学 2021-08-20 CN disclosed
CN-109475121-B Subtiprotero derivatives 俄勒冈健康科学大学 2021-06-25 CN disclosed
EP-3457851-B1 DERIVATIVES OF SOBETIROME UNIV OREGON HEALTH & SCIENCE (US) 2021-06-23 EP disclosed
US-20210002208-A1 DERIVATIVES OF SOBETIROME OREGON HEALTH & SCIENCE UNIVERSITY (US) 2021-01-07 US disclosed
US-20210002208-A1 DERIVATIVES OF SOBETIROME OREGON HEALTH & SCIENCE UNIVERSITY (US) 2021-01-07 US disclosed
EP-3752001-A1 DERIVATIVES OF SOBETIROME Oregon Health & Science University (US) 2020-12-23 EP disclosed
CN-111818798-A Derivatives of Sobutirole 俄勒冈健康科学大学 2020-10-23 CN disclosed
US-20200325092-A1 DERIVATIVES OF SOBETIROME OREGON HEALTH & SCIENCE UNIVERSITY (US) 2020-10-15 US disclosed
US-10544075-B2 Derivatives of sobetirome OREGON HEALTH & SCIENCE UNIVERSITY (US) 2020-01-28 US disclosed
WO-2019160980-A1 DERIVATIVES OF SOBETIROME OREGON HEALTH & SCIENCE UNIVERSITY (US) 2019-08-22 WO disclosed
WO-2019160980-A1 DERIVATIVES OF SOBETIROME OREGON HEALTH & SCIENCE UNIVERSITY (US) 2019-08-22 WO disclosed
US-20190210950-A1 DERIVATIVES OF SOBETIROME OREGON HEALTH & SCIENCE UNIVERSITY (US) 2019-07-11 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-20200325092-A1 DERIVATIVES OF SOBETIROME SNCA, SLC6A3, SLC6A1 PSEN1 47/4885PSEN2 14/4885APH1B 3326/4885
US-20210002208-A1 DERIVATIVES OF SOBETIROME SLC6A3, TPH1, SLC6A2 PSEN1 145/4885PSEN2 199/4885APH1B 4561/4885
US-20190210950-A1 DERIVATIVES OF SOBETIROME SNCA, SLC6A3, SLC6A1 PSEN1 47/4885PSEN2 14/4885APH1B 3326/4885
US-20240425437-A1 DERIVATIVES OF SOBETIROME SNCA, SLC6A3, SLC6A1 PSEN1 47/4885PSEN2 14/4885APH1B 3326/4885
US-10544075-B2 Derivatives of sobetirome SNCA, SLC6A3, SLC6A1 PSEN1 47/4885PSEN2 14/4885APH1B 3326/4885
US-11578032-B2 Derivatives of sobetirome SLC6A3, TPH1, SLC6A2 PSEN1 145/4885PSEN2 199/4885APH1B 4561/4885

“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.