SCHEMBL2992082

SCHEMBL2992082

O=C(OC(=O)C(F)(F)F)c1cc2c(s1)c(-c1ccccc1)c(-c1ccccc1)n2CCN1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.37
GRIN1 Q05586 3/20 0.36
GRIN2B Q13224 3/20 0.36
MAPK14 Q16539 2/20 0.36
OPRK1 P41145 3/20 0.35
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
KLK7 P49862 1/20 0.35
CASP7 P55210 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
F2R P25116 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 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
SCHEMBL2996612 0.86 OPRK1 (0.44) SIGMAR1GRIN1GRIN2BOPRK1OPRM1
SCHEMBL3000873 0.77 CHRNB2 (0.36)
Trifluoroacetic Acid SCHEMBL2992079 0.73 MEN1 (0.36) SIGMAR1GRIN1GRIN2BOPRK1OPRM1
SCHEMBL28760895 0.73 NPY1R (0.32) POLBFABP4
SCHEMBL2996610 0.73 OPRK1 (0.40) SIGMAR1GRIN1GRIN2BOPRK1OPRM1
SCHEMBL2998829 0.70 KMT2A (0.40) GAAKDM4EALDH1A1POLBHPGD
SCHEMBL5229364 0.70 MEN1 (0.40) SIGMAR1GRIN1GRIN2BOPRK1OPRM1
SCHEMBL427109 0.69 EGFR (0.50) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL27642151 0.68 GRIN1 (0.35) GRIN1GRIN2BKDM4EALDH1A1POLB
SCHEMBL2998711 0.68 ALDH1A1 (0.42) KDM4EALDH1A1POLBHPGDSMN1; SMN2

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 9 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
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-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

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 SIGMAR1 513/4885GRIN1 2089/4885GRIN2B 2535/4885

“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.