SCHEMBL15877976

SCHEMBL15877976

CC1(C)OB(c2ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)c(OC3CC3)c2)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 2/20 0.42
SCN8A Q9UQD0 3/20 0.41
SCN10A Q9Y5Y9 3/20 0.41
BTK Q06187 10/20 0.41
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
YES1 P07947 1/20 0.38
LYN P07948 1/20 0.38
FGR P09769 1/20 0.38
SRC P12931 1/20 0.38
CSK P41240 1/20 0.38
TEC P42680 1/20 0.38
TXK P42681 1/20 0.38
FRK P42685 1/20 0.38
BLK P51451 1/20 0.38
BMX P51813 1/20 0.38
PTK6 Q13882 1/20 0.38
ERBB4 Q15303 1/20 0.38
SRMS Q9H3Y6 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL18825302 0.88 SORT1 (0.45) SORT1BTKTECTXKBLK
SCHEMBL14654097 0.83 SORT1 (0.47) SORT1BTKALDH1A1GAAL3MBTL1
SCHEMBL15879005 0.83 SORT1 (0.50) SORT1BTKSRCALDH1A1GAA
SCHEMBL15878930 0.82 BTK (0.46) BTKLCKFYNYES1LYN
SCHEMBL14654132 0.82 SORT1 (0.47) SORT1BTKALDH1A1LIPEPDGFRB
SCHEMBL25421609 0.81 SORT1 (0.45) SORT1BTKLCKALDH1A1GAA
SCHEMBL15878509 0.79 BTK (0.45) BTKLCKFYNYES1LYN
SCHEMBL15878228 0.79 BTK (0.45) BTKLCKFYNYES1LYN
SCHEMBL29537527 0.79 CA1 (0.47) SORT1BTKLIPEEPAS1
SCHEMBL14630437 0.79 CA1 (0.47) SORT1BTKLIPEEPAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140206681-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. 2014-07-24 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 (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-20140206681-A1 BTK INHIBITORS BTK, SYK, LYN SORT1 4460/4885SCN8A 2906/4885SCN10A 1507/4885

“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.