SCHEMBL4872058

SCHEMBL4872058

Cc1cccc(-c2ccc3cc(-c4c(C5CCCCC5)c5sc(C(=O)O)cc5n4CC(=O)N4CCC(N5CCCC5)CC4)ccc3n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
TP53 P04637 1/20 0.38
GRIN2B Q13224 2/20 0.36
TRPV4 Q9HBA0 1/20 0.35
LMNA P02545 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CBX7 O95931 1/20 0.34
CDYL2 Q8N8U2 1/20 0.34
CDYL Q9Y232 1/20 0.34
CDY1; CDY1B Q9Y6F8 1/20 0.34
HTT P42858 1/20 0.34
IRAK4 Q9NWZ3 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
SCHEMBL4877300 0.95 GRIN2B (0.41) GAATP53GRIN2BLMNAALDH1A1
SCHEMBL4876782 0.92 GAA (0.37) GAAPOLBTSHRTP53GRIN2B
SCHEMBL4877158 0.92 PIK3CA (0.40) GAAPOLBTSHRNPSR1CYP2D6
SCHEMBL4872070 0.91 POLB (0.42) GAAPOLBTSHRNPSR1CYP2D6
SCHEMBL4874410 0.91 TRPV4 (0.38) GAAPOLBTSHRGRIN2BTRPV4
SCHEMBL4878071 0.90 TP53 (0.35) GAAPOLBTSHRTP53GRIN2B
SCHEMBL4877285 0.89 MAPT (0.36) GAAPOLBTSHRCYP2D6TP53
SCHEMBL4872438 0.89 TSHR (0.37) GAAPOLBTSHRTP53ALDH1A1
SCHEMBL4877463 0.89 GAA (0.36) GAAPOLBTSHRTP53LMNA
SCHEMBL4867002 0.89 IRAK4 (0.35) GAAPOLBTSHRNPSR1CYP2D6

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 GAA 66/4885POLB 327/4885TSHR 4492/4885

“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.