SCHEMBL20204035

SCHEMBL20204035

CC1(C)OB(c2ccc(OC(F)(F)F)cc2C2COC2)OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.37
LIPE Q05469 3/20 0.36
MGLL Q99685 2/20 0.34
TACR1 P25103 3/20 0.33
HCRTR2 O43614 1/20 0.32
LRRK2 Q5S007 1/20 0.32
BCL2L1 Q07817 1/20 0.31
MCL1 Q07820 1/20 0.31
GPR3 P46089 1/20 0.31
SLC6A4 P31645 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
KIF11 P52732 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
CTSD P07339 1/20 0.30
BACE1 P56817 1/20 0.30

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
SCHEMBL21835743 0.90 CXCR2 (0.40) CXCR2LIPEMGLLTACR1HCRTR2
SCHEMBL581309 0.77 CXCR2 (0.43) CXCR2LIPEGPR3KIF11
SCHEMBL20191122 0.77 CXCR2 (0.41) CXCR2LIPEGPR3
SCHEMBL30376702 0.77 CXCR2 (0.43) CXCR2LIPEGPR3KIF11
SCHEMBL28961843 0.76 CXCR2 (0.42) CXCR2LIPEGPR3
SCHEMBL31114631 0.76 CXCR2 (0.42) CXCR2LIPEGPR3
SCHEMBL30080384 0.75 CXCR2 (0.39) CXCR2LIPEHCRTR2GPR3
SCHEMBL16798730 0.74 LIPE (0.40) CXCR2LIPEGPR3SLC6A4
SCHEMBL13202141 0.74 CXCR2 (0.49) CXCR2LIPEGPR3
SCHEMBL15840020 0.73 LIPE (0.39) CXCR2LIPEGPR3

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 CXCR2 3728/4885LIPE 4076/4885MGLL 2058/4885
US-20230322790-A1 COMPOUNDS AND THEIR METHODS OF USE SCN1A, SCN3A, SCN1B CXCR2 3728/4885LIPE 4076/4885MGLL 2058/4885

“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.