SCHEMBL20203987

SCHEMBL20203987

Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1OCC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.50
DGAT1 O75907 2/20 0.39
ALPL P05186 1/20 0.35
FFAR1 O14842 1/20 0.35
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
PTGS2 P35354 1/20 0.33
PDGFRB P09619 4/20 0.33
KDR P35968 4/20 0.33
SSTR4 P31391 1/20 0.32
IDH1 O75874 1/20 0.32
LPL P06858 2/20 0.32
LIPG Q9Y5X9 2/20 0.32
LIPE Q05469 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL22314538 0.91 AAK1 (0.52) AAK1DGAT1ALPLFFAR1GSK3A
SCHEMBL15555039 0.88 AAK1 (0.49) AAK1DGAT1ALPLFFAR1GSK3A
SCHEMBL20191051 0.86 AAK1 (0.53) AAK1DGAT1ALPLFFAR1GSK3A
SCHEMBL25870156 0.85 AAK1 (0.52) AAK1DGAT1ALPLFFAR1GSK3A
SCHEMBL29504617 0.80 ALPL (0.46) AAK1DGAT1ALPLFFAR1GSK3A
SCHEMBL3668559 0.80 ALPL (0.46) AAK1DGAT1ALPLFFAR1GSK3A
SCHEMBL3448376 0.79 DGAT1 (0.46) AAK1DGAT1ALPLGSK3AGSK3B
SCHEMBL19025609 0.79 AAK1 (0.75) AAK1
SCHEMBL19025608 0.79 AAK1 (0.75) AAK1
SCHEMBL20763332 0.79 AAK1 (0.48) AAK1DGAT1ALPLFFAR1GSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322790-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-10-12 US disclosed
US-20230322790-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-10-12 US disclosed
US-20210188852-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2021-06-24 US disclosed
WO-2018098499-A1 COMPOUNDS AND THEIR METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2018-05-31 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 (2 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-20210188852-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B AAK1 3892/4885DGAT1 458/4885ALPL 4099/4885
US-20230322790-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B AAK1 3892/4885DGAT1 458/4885ALPL 4099/4885

“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.