SCHEMBL5106293

SCHEMBL5106293

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.39
AOC3 Q16853 1/20 0.36
CTSS P25774 4/20 0.35
CTSK P43235 3/20 0.35
TRPA1 O75762 1/20 0.34
DPP4 P27487 1/20 0.34
MAPK14 Q16539 5/20 0.34
NR3C2 P08235 1/20 0.34
LTA4H P09960 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
CACNA1H O95180 1/20 0.32
APP P05067 1/20 0.32

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
SCHEMBL243272 0.84 TRPA1 (0.47) SLC7A5CTSSCTSKTRPA1TRPV4
SCHEMBL5115641 0.83 SCN9A (0.36) DPP4
SCHEMBL5109170 0.81 SLC7A5 (0.43) SLC7A5DPP4MAPK14LTA4HAPP
SCHEMBL5109997 0.81 SLC7A5 (0.40) SLC7A5DPP4MAPK14LTA4HAPP
SCHEMBL29529375 0.80 CTSS (0.52) CTSSCTSKTRPA1
SCHEMBL21029611 0.77 SLC7A5 (0.45) SLC7A5DPP4MAPK14LTA4HAPP
SCHEMBL25317908 0.77 DPP4 (0.45) SLC7A5CTSSCTSKDPP4LTA4H
SCHEMBL18256468 0.76 SLC7A5 (0.44) SLC7A5DPP4MAPK14LTA4HAPP
SCHEMBL19088473 0.76 SLC7A5 (0.44) SLC7A5DPP4MAPK14LTA4HAPP
SCHEMBL29551946 0.76 SLC7A5 (0.44) SLC7A5DPP4MAPK14LTA4HAPP

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 SLC7A5 2920/4885AOC3 714/4885CTSS 897/4885

“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.