SCHEMBL792856

SCHEMBL792856

Cc1ccc2c(C3CCCCC3)c(Br)n(CCOS(C)(=O)=O)c2c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.36
CNR1 P21554 2/20 0.34
TP53 P04637 3/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.32
SCN9A Q15858 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL771593 0.84 SCN9A (0.40) CNR2SCN9AALDH1A1KDM4EMEN1
SCHEMBL792724 0.81 CNR2 (0.37) CNR2CNR1TP53PTGDR2KDM4E
SCHEMBL792857 0.81 JAK2 (0.36) CNR2CNR1TP53PTGDR2KDM4E
SCHEMBL792722 0.80 KDM4C (0.40) CNR2CNR1MEN1KMT2A
SCHEMBL792659 0.79 L3MBTL1 (0.47) TP53ALDH1A1KMT2ATSHR
SCHEMBL792427 0.78 CNR2 (0.41) CNR2CNR1TP53PTGDR2ALDH1A1
SCHEMBL792898 0.77 TP53 (0.39) CNR2CNR1TP53PTGDR2ALDH1A1
SCHEMBL792858 0.76 KMT2A (0.39) MEN1KMT2ATSHR
SCHEMBL13006921 0.74 CNR1 (0.33) CNR2CNR1SCN9AKDM4E
SCHEMBL793031 0.72 ALDH1A1 (0.36) CNR2TP53PTGDR2ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 CNR2 4449/4885CNR1 3860/4885TP53 559/4885

“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.