SCHEMBL2996273

SCHEMBL2996273

COC(=O)Cn1c(-c2ccoc2)c(C2CCCCC2)c2sc(C(=O)OC(C)(C)C)cc21

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GPR119 Q8TDV5 1/20 0.32
EP300 Q09472 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
SCHEMBL5233014 0.90 SCN9A (0.40) SCN9ACYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL2996276 0.82 ALDH1A1 (0.35) KDM4ETSHRHSD17B10
SCHEMBL2157499 0.81 KDM4E (0.34) CYP2C19KDM4ETSHRHSD17B10
SCHEMBL2998707 0.81 KDM4E (0.36) KDM4E
SCHEMBL2157328 0.80 KDM4E (0.31) CYP2D6KDM4ETSHRHSD17B10
SCHEMBL2988625 0.80 PTGDR (0.35)
SCHEMBL2156720 0.79 KDM4E (0.37) KDM4ETSHRHSD17B10
SCHEMBL1173457 0.78 SCN9A (0.51) SCN9ACYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL2994234 0.78 SCN9A (0.38) SCN9ACYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL10293481 0.77 SCN9A (0.54) SCN9ACYP3A4CYP2C19CYP2D6CYP2C9

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-7781431-B2 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2010-08-24 US disclosed
US-20090036443-A1 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2009-02-05 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-20090036443-A1 Thienopyrroles as antiviral agents ZC3HAV1, XDH, TPMT SCN9A 3612/4885CYP3A4 72/4885CYP2C19 154/4885

“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.