SCHEMBL2995091

SCHEMBL2995091

O=C(O)c1sc2c(C3CCCCC3)c(-c3ccc(Cl)cc3)n(CC(=O)N3CCOCC3)c2c1CNCC1CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.41
EGFR P00533 4/20 0.41
TYMS P04818 4/20 0.41
LTA4H P09960 4/20 0.41
VDR P11473 4/20 0.41
SRC P12931 4/20 0.41
CTSK P43235 4/20 0.41
NOTUM Q6P988 1/20 0.34
PIK3CA P42336 1/20 0.34
CTSS P25774 1/20 0.33
F10 P00742 1/20 0.33
CACNA1G O43497 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
BRD4 O60885 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL2994293 0.91 EGFR (0.40) MAPK1EGFRTYMSLTA4HVDR
SCHEMBL2992070 0.90 EGFR (0.41) MAPK1EGFRTYMSLTA4HVDR
SCHEMBL2988705 0.89 EGFR (0.39) MAPK1EGFRTYMSLTA4HVDR
SCHEMBL5232127 0.89 EGFR (0.38) MAPK1EGFRTYMSLTA4HVDR
SCHEMBL2995605 0.87 EGFR (0.43) MAPK1EGFRTYMSLTA4HVDR
SCHEMBL2995093 0.86 EGFR (0.42) MAPK1EGFRTYMSLTA4HVDR
SCHEMBL2989235 0.86 MAPK1 (0.42) MAPK1EGFRTYMSLTA4HVDR
SCHEMBL5233169 0.85 EGFR (0.45) MAPK1EGFRTYMSLTA4HVDR
SCHEMBL2990712 0.84 EGFR (0.41) MAPK1EGFRTYMSLTA4HVDR
SCHEMBL2997787 0.84 EGFR (0.40) MAPK1EGFRTYMSLTA4HVDR

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 MAPK1 3424/4885EGFR 3850/4885TYMS 67/4885

“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.