SCHEMBL3000679

SCHEMBL3000679

COc1ccc(-c2c(C3CCCCC3)c3sc(C(=O)O)cc3n2CC(=O)N(C)C)cn1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.39
GRIN2B Q13224 7/20 0.38
GRIN1 Q05586 5/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALOX5AP P20292 1/20 0.36
SCD O00767 1/20 0.36
SCD5 Q86SK9 1/20 0.36
CPT2 P23786 1/20 0.35
CPT1A P50416 1/20 0.35
FYN P06241 1/20 0.35
PIK3CA P42336 2/20 0.34
MTOR P42345 2/20 0.34
PDE6A P16499 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
SCHEMBL5229100 0.89 PDE5A (0.39) PDE5AGRIN2BGRIN1CYP3A4CYP2C19
SCHEMBL423330 0.87 GRIN1 (0.39) GRIN2BGRIN1
SCHEMBL2997714 0.84 MAPT (0.38) GRIN2BGRIN1
SCHEMBL13211534 0.84 CYP2D6 (0.39) PDE5AGRIN2BGRIN1
SCHEMBL2987937 0.84 CNR1 (0.35) GRIN2BGRIN1
SCHEMBL2996782 0.83 ALDH1A1 (0.39)
SCHEMBL3000683 0.83 GRIN2B (0.43) PDE5AGRIN2BGRIN1PDE6A
SCHEMBL2910421 0.83 CYP3A4 (0.46) PDE5AGRIN2BGRIN1CYP3A4CYP2C19
SCHEMBL422945 0.82 CYP2D6 (0.38) GRIN2BGRIN1
SCHEMBL2998266 0.82 GRIN1 (0.34) GRIN2BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036443-A1 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2009-02-05 US claimed
EP-1664059-B1 THIENOPYRROLES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2007-09-12 EP claimed
JP-2007505091-A 2007-03-08 JP claimed
CN-1849323-A Thienopyrroles as antiviral agents ANGELETTI P IST RICHERCHE BIO (IT) 2006-10-18 CN claimed
EP-1664059-A1 THIENOPYRROLES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2006-06-07 EP claimed
WO-2005023819-A9 THIENOPYRROLES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2006-03-23 WO claimed
WO-2005023819-A1 THIENOPYRROLES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2005-03-17 WO claimed
US-7781431-B2 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2010-08-24 US disclosed
US-7781431-B2 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2010-08-24 US disclosed
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
US-20090036443-A1 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2009-02-05 US disclosed
US-20090036443-A1 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2009-02-05 US disclosed
EP-1664059-B1 THIENOPYRROLES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2007-09-12 EP disclosed
CN-1849323-A Thienopyrroles as antiviral agents ANGELETTI P IST RICHERCHE BIO (IT) 2006-10-18 CN 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 PDE5A 1709/4885GRIN2B 2535/4885GRIN1 2089/4885

“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.