SCHEMBL2995605

SCHEMBL2995605

O=C(O)c1sc2c(C3CCCCC3)c(-c3ccc(Cl)cc3)n(CC(=O)N3CCOCC3)c2c1CN1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.43
TYMS P04818 4/20 0.43
LTA4H P09960 4/20 0.43
VDR P11473 4/20 0.43
SRC P12931 4/20 0.43
MAPK1 P28482 4/20 0.43
CTSK P43235 4/20 0.43
HRH1 P35367 1/20 0.36
NOTUM Q6P988 1/20 0.36
AKR1C3 P42330 1/20 0.35
SLC2A1 P11166 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
NPC1 O15118 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGS2 P35354 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PIK3CA P42336 1/20 0.33
CTSS P25774 1/20 0.33

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
SCHEMBL2990712 0.94 EGFR (0.41) EGFRTYMSLTA4HVDRSRC
SCHEMBL2997787 0.92 EGFR (0.40) EGFRTYMSLTA4HVDRSRC
SCHEMBL2986510 0.91 EGFR (0.39) EGFRTYMSLTA4HVDRSRC
SCHEMBL5237010 0.89 EGFR (0.39) EGFRTYMSLTA4HVDRSRC
SCHEMBL2989235 0.88 MAPK1 (0.42) EGFRTYMSLTA4HVDRSRC
SCHEMBL5233169 0.87 EGFR (0.45) EGFRTYMSLTA4HVDRSRC
SCHEMBL2995091 0.87 MAPK1 (0.41) EGFRTYMSLTA4HVDRSRC
SCHEMBL2992070 0.87 EGFR (0.41) EGFRTYMSLTA4HVDRSRC
SCHEMBL2994293 0.86 EGFR (0.40) EGFRTYMSLTA4HVDRSRC
SCHEMBL2995608 0.85 EGFR (0.44) 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
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

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.