SCHEMBL4873028

SCHEMBL4873028

COc1cccc(-c2ccc3cc(-c4c(C5CCCCC5)c5sc(C(=O)O)cc5n4CC(=O)N4CCNCC4)ccc3n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.37
MTOR P42345 2/20 0.37
ALDH1A1 P00352 4/20 0.35
TP53 P04637 2/20 0.35
TSHR P16473 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.35
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
TNKS O95271 1/20 0.35
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
HTT P42858 1/20 0.34
HIF1A Q16665 1/20 0.34
WNK1 Q9H4A3 1/20 0.34
THRB P10828 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
SCHEMBL4874037 0.95 POLB (0.40) PIK3CAMTORALDH1A1TP53TSHR
SCHEMBL4877302 0.94 PIK3CA (0.39) PIK3CAMTORALDH1A1TP53TSHR
SCHEMBL4877158 0.91 PIK3CA (0.40) PIK3CAMTORTP53TSHRMAPK1
SCHEMBL4874603 0.90 MKNK2 (0.34) ALDH1A1MAPTLMNAUBE2MDCUN1D1
SCHEMBL4876205 0.89 GRIN1 (0.32) ALDH1A1TP53MAPTMAPK1HSD17B10
SCHEMBL4878172 0.89 PIK3CA (0.39) PIK3CAMTORALDH1A1MAPTMAPK1
SCHEMBL4873044 0.89 PIK3CA (0.38) PIK3CAMTORALDH1A1TP53TSHR
SCHEMBL4879087 0.89 PTGS2 (0.37) ALDH1A1TP53TSHRMAPTMAPK1
SCHEMBL4874811 0.89 POLB (0.38) ALDH1A1TP53TSHRPOLBTNKS
SCHEMBL4868463 0.88 KMT2A (0.39) PIK3CAMTORALDH1A1TP53MAPT

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 1386/4885ALDH1A1 1357/4885

“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.