SCHEMBL21113935

SCHEMBL21113935

CC(C)(C)OC(=O)COCCCOc1ccc(Br)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 3/20 0.44
▸ FFAR1 O14842 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ PPARD Q03181 1/20 0.37
▸ PSEN1 P49768 2/20 0.37
▸ PSEN2 P49810 2/20 0.37
▸ APH1B Q8WW43 2/20 0.37
▸ NCSTN Q92542 2/20 0.37
▸ APH1A Q96BI3 2/20 0.37
▸ PSENEN Q9NZ42 2/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ LSS P48449 1/20 0.36
▸ CA12 O43570 3/20 0.36
▸ CA1 P00915 3/20 0.36
▸ CA2 P00918 3/20 0.36
▸ CA9 Q16790 3/20 0.36
▸ RARA P10276 1/20 0.36
▸ RARB P10826 1/20 0.36
▸ MCHR1 Q99705 1/20 0.35

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
SCHEMBL21163440 0.81 PDK2 (0.48) GPR119LSSRARARARB
SCHEMBL21163144 0.78 PDK2 (0.46) GPR119LSSRARARARB
SCHEMBL21163804 0.77 PDK2 (0.49) GPR119LSS
SCHEMBL1576133 0.77 GPR119 (0.75) GPR119
SCHEMBL21114101 0.76 PDK2 (0.48) GPR119LSSCA12CA1CA2
SCHEMBL25252447 0.76 ALDH1A1 (0.45) PPARD
SCHEMBL5637807 0.76 HDAC1 (0.49) HDAC1HDAC2PLA2G4B
SCHEMBL21163677 0.76 PDK2 (0.55) GPR119LSS
SCHEMBL21114051 0.75 PDK2 (0.48) GPR119LSSCA12CA1CA2
SCHEMBL21113995 0.75 PDK2 (0.48) GPR119LSSCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190210973-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2019-07-11 — — US disclosed
US-20190210973-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2019-07-11 — — US disclosed
WO-2019136314-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2019-07-11 — — WO 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 (1 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-20190210973-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS CFTR, SLC26A4, SERPINB1 GPR119 1765/4885FFAR1 1740/4885PPARG 752/4885

“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.

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