SCHEMBL2997178

SCHEMBL2997178

O=C(O)c1cc2c(s1)c(-c1ccccc1)c(-c1cccc(Cl)c1)n2CC(=O)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.44
TYMS P04818 2/20 0.44
LTA4H P09960 2/20 0.44
VDR P11473 2/20 0.44
SRC P12931 2/20 0.44
MAPK1 P28482 2/20 0.44
CTSK P43235 2/20 0.44
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
GRIN2B Q13224 3/20 0.42
FKBP1A P62942 1/20 0.42
TP53 P04637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 2/20 0.41
PIN1 Q13526 1/20 0.41
PTGS2 P35354 1/20 0.40
POLB P06746 1/20 0.40
MDM2 Q00987 1/20 0.39

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
SCHEMBL2997044 0.92 EGFR (0.48) EGFRTYMSLTA4HVDRSRC
SCHEMBL2988735 0.91 MAPK1 (0.49) EGFRTYMSLTA4HVDRSRC
SCHEMBL2996625 0.86 MAPK1 (0.48) EGFRTYMSLTA4HVDRSRC
SCHEMBL2990441 0.85 GRIN2B (0.42) EGFRTYMSLTA4HVDRSRC
SCHEMBL2997172 0.85 RAB9A (0.38) EGFRTYMSLTA4HVDRSRC
SCHEMBL2995706 0.84 PTGS2 (0.44) EGFRTYMSLTA4HVDRSRC
SCHEMBL2995098 0.84 MAPK1 (0.44) EGFRTYMSLTA4HVDRSRC
SCHEMBL424160 0.84 PTGS2 (0.48) EGFRTYMSLTA4HVDRSRC
SCHEMBL2994319 0.82 MAPK1 (0.44) EGFRTYMSLTA4HVDRSRC
SCHEMBL2996607 0.81 ALDH1A1 (0.43) EGFRTYMSLTA4HVDRSRC

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 10 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 claimed
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 EGFR 3850/4885TYMS 67/4885LTA4H 1710/4885

“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.