SCHEMBL5115641

SCHEMBL5115641

CC(C)(C)OC(=O)C(N)Cc1cc(F)c(C#N)c(OCC2CCCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 10/20 0.36
SCN5A Q14524 2/20 0.36
PARP10 Q53GL7 2/20 0.35
SLC6A9 P48067 1/20 0.34
DHODH Q02127 1/20 0.34
PARP15 Q460N3 1/20 0.33
DPP4 P27487 1/20 0.33
XDH P47989 1/20 0.33

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
SCHEMBL5106293 0.83 SLC7A5 (0.39) DPP4
SCHEMBL5115637 0.79 SCN9A (0.38) SCN9ASCN5A
SCHEMBL243272 0.71 TRPA1 (0.47)
SCHEMBL14022204 0.70 SCN9A (0.59) SCN9A
SCHEMBL1142200 0.70 SCN9A (0.59) SCN9A
SCHEMBL5109997 0.69 SLC7A5 (0.40) DPP4
SCHEMBL5109170 0.69 SLC7A5 (0.43) DPP4
SCHEMBL1142219 0.68 SCN9A (0.46) SCN9A
SCHEMBL5105417 0.68 CCNA2 (0.38) SCN9ASCN5APARP10XDH
SCHEMBL1142586 0.67 SCN9A (0.51) SCN9ADPP4

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-7329764-B2 Substitute benzothiophene compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-12 US disclosed
EP-1651629-A1 SUBSTITUTED BENZOTHIOPHENE COMPOUNDS AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-05-03 EP disclosed
US-20050038104-A1 Substitute benzothiophene compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-17 US disclosed
WO-2005012283-A1 SUBSTITUTED BENZOTHIOPHENE COMPOUNDS AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-10 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-20050038104-A1 Substitute benzothiophene compounds TST, SULT1E1, LTC4S SCN9A 4314/4885SCN5A 4039/4885PARP10 1480/4885

“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.