SCHEMBL5116508

SCHEMBL5116508

N#Cc1c(OC2CCC2)ccc(C(=O)O)c1F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 2/20 0.38
FABP5 Q01469 2/20 0.38
SLC6A9 P48067 3/20 0.37
PDE4A P27815 4/20 0.37
PDE4B Q07343 4/20 0.37
PDE4C Q08493 4/20 0.37
PDE4D Q08499 4/20 0.37
CNR2 P34972 1/20 0.37
MAP3K5 Q99683 1/20 0.37
KMO O15229 2/20 0.36
PDE5A O76074 1/20 0.35
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE1C Q14123 1/20 0.35
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
VEGFA P15692 1/20 0.34

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
SCHEMBL5110105 0.77 MAPT (0.46) FABP4
SCHEMBL16961586 0.75 CXCR5 (0.43) SLC6A9PDE4APDE4BPDE4CPDE4D
SCHEMBL943645 0.75 CNR2 (0.48) SLC6A9PDE4APDE4BPDE4CPDE4D
SCHEMBL5104144 0.73 TSHR (0.42)
SCHEMBL5043693 0.72 PTGDR2 (0.48) SLC6A9PDE4APDE4BPDE4CPDE4D
SCHEMBL2080480 0.71 CES2 (0.41)
SCHEMBL5105368 0.71 KDM4E (0.42) PDE4APDE4BPDE4CPDE4D
SCHEMBL31535238 0.70 KMT2A (0.47) FABP4FABP5
SCHEMBL23287020 0.69 MAP3K5 (0.42) SLC6A9MAP3K5
SCHEMBL29825320 0.69 MAP3K5 (0.42) SLC6A9MAP3K5

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 6 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
US-7329764-B2 Substitute benzothiophene compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-12 US disclosed
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 FABP4 676/4885FABP5 2515/4885SLC6A9 4340/4885

“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.