SCHEMBL4867002

SCHEMBL4867002

O=C(O)c1cc2c(s1)c(C1CCCCC1)c(-c1ccc3nc(-c4cccc(OC(F)(F)F)c4)ccc3c1)n2CC(=O)N1CCC(N2CCCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.35
ACHE P22303 1/20 0.35
GAA P10253 2/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
ACP1 P24666 1/20 0.34
MCHR1 Q99705 3/20 0.34
ALOX5AP P20292 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
PIM1 P11309 1/20 0.33
TP53 P04637 1/20 0.33
GCGR P47871 1/20 0.33
GIPR P48546 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL4877158 0.92 PIK3CA (0.40) ACHEGAAPOLBTSHRPIK3CA
SCHEMBL4867012 0.91 ACHE (0.36) IRAK4ACHEGAAPOLBTSHR
SCHEMBL4874410 0.91 TRPV4 (0.38) IRAK4GAAPOLBTSHR
SCHEMBL4876782 0.90 GAA (0.37) IRAK4ACHEGAAPOLBTSHR
SCHEMBL4877910 0.89 ALOX5AP (0.36) ACP1ALOX5APGCGRGIPR
SCHEMBL4872058 0.89 GAA (0.40) IRAK4ACHEGAAPOLBTSHR
SCHEMBL4878071 0.88 TP53 (0.35) IRAK4ACHEGAAPOLBTSHR
SCHEMBL4878172 0.87 PIK3CA (0.39) ACHEPIK3CAMTORALDH1A1CBX7
SCHEMBL4877285 0.87 MAPT (0.36) IRAK4GAAPOLBTSHRTP53
SCHEMBL4877463 0.87 GAA (0.36) IRAK4ACHEGAAPOLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 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-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 IRAK4 1626/4885ACHE 2191/4885GAA 66/4885

“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.