SCHEMBL4877302

SCHEMBL4877302

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.39
MTOR P42345 3/20 0.39
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.36
TNKS O95271 1/20 0.35
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMO Q99835 1/20 0.35
AVPR1B P47901 1/20 0.35
HTT P42858 1/20 0.34
HIF1A Q16665 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 0.96 POLB (0.40) PIK3CAMTORUBE2MDCUN1D1ALDH1A1
SCHEMBL4866862 0.94 KMT2A (0.36) PIK3CAMTORALDH1A1TP53MAPT
SCHEMBL4877158 0.94 PIK3CA (0.40) PIK3CAMTORUBE2MDCUN1D1TP53
SCHEMBL4873028 0.94 PIK3CA (0.37) PIK3CAMTORUBE2MDCUN1D1ALDH1A1
SCHEMBL4878172 0.91 PIK3CA (0.39) PIK3CAMTORUBE2MDCUN1D1ALDH1A1
SCHEMBL4872088 0.91 KMT2A (0.36) ALDH1A1TP53LMNATSHRMAPK1
SCHEMBL4878001 0.90 ALDH1A1 (0.34) ALDH1A1MAPTLMNASMOHTT
SCHEMBL4879087 0.90 PTGS2 (0.37) ALDH1A1TP53MAPTTSHRMAPK1
SCHEMBL4877312 0.90 PIK3CA (0.43) PIK3CAMTORUBE2MDCUN1D1ALDH1A1
SCHEMBL4868463 0.89 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 1386/4885UBE2M 3193/4885

“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.