SCHEMBL4877158

SCHEMBL4877158

COc1cccc(-c2ccc3cc(-c4c(C5CCCCC5)c5sc(C(=O)O)cc5n4CC(=O)N4CCC(N5CCCC5)CC4)ccc3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.40
MTOR P42345 3/20 0.40
CBX7 O95931 1/20 0.40
CDYL2 Q8N8U2 1/20 0.40
CDYL Q9Y232 1/20 0.40
HRH3 Q9Y5N1 3/20 0.40
POLB P06746 2/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
TRPV4 Q9HBA0 1/20 0.37
MAPK1 P28482 1/20 0.36
TP53 P04637 2/20 0.36
ACHE P22303 1/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35

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
SCHEMBL4878172 0.95 PIK3CA (0.39) PIK3CAMTORCBX7CDYL2CDYL
SCHEMBL4874037 0.95 POLB (0.40) PIK3CAMTORPOLBGAATSHR
SCHEMBL4877302 0.94 PIK3CA (0.39) PIK3CAMTORPOLBTSHRMAPK1
SCHEMBL4867002 0.92 IRAK4 (0.35) PIK3CAMTORCBX7CDYL2CDYL
SCHEMBL4872058 0.92 GAA (0.40) CBX7CDYL2CDYLHRH3POLB
SCHEMBL4873028 0.91 PIK3CA (0.37) PIK3CAMTORPOLBTSHRMAPK1
SCHEMBL4872438 0.91 TSHR (0.37) CBX7CDYL2CDYLPOLBGAA
SCHEMBL4877171 0.91 PIK3CA (0.43) PIK3CAMTORCBX7CDYL2CDYL
SCHEMBL4876782 0.91 GAA (0.37) CBX7CDYL2CDYLHRH3POLB
SCHEMBL4879087 0.89 PTGS2 (0.37) POLBGAATSHRMAPK1TP53

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 PIK3CA 1299/4885MTOR 1386/4885CBX7 2500/4885

“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.