SCHEMBL998058

SCHEMBL998058

COc1ccc(OC)c(SCC(=O)N2CCCc3c([nH]c4ccccc34)C2c2cccc(F)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.54
ABCB1 P08183 7/20 0.53
ABCG2 Q9UNQ0 7/20 0.53
LMNA P02545 4/20 0.51
THRB P10828 1/20 0.51
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.48
KIF11 P52732 1/20 0.48

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
SCHEMBL999215 0.85 MAPT (0.52) TP53ABCB1ABCG2LMNATHRB
SCHEMBL997852 0.79 KIF11 (0.57) TP53ABCB1ABCG2LMNAMAPT
SCHEMBL998625 0.78 SIRT1 (0.46) TP53MAPT
SCHEMBL998654 0.78 KIF11 (0.70) TP53ABCB1ABCG2LMNAMAPT
SCHEMBL998561 0.77 TP53 (0.51) TP53LMNATHRBMAPTKIF11
SCHEMBL997738 0.76 TRPV1 (0.51) MAPT
SCHEMBL997835 0.73 TP53 (0.49) TP53ABCG2LMNATHRBMAPT
SCHEMBL997869 0.72 KIF11 (0.79) TP53ABCB1ABCG2LMNAMAPT
SCHEMBL996643 0.72 TRPV1 (0.57)
SCHEMBL1000685 0.71 TP53 (0.61) TP53ABCB1ABCG2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1637521-B1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO (JP) 2013-06-19 EP disclosed
US-7872133-B2 Tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-18 US disclosed
US-20060154944-A1 Novel tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-13 US disclosed
EP-1637521-A1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2006-03-22 EP 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-20060154944-A1 Novel tricyclic heterocycle compound CYP11B1, CYP11B2, HCCS TP53 945/4885ABCB1 307/4885ABCG2 309/4885

“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.