SCHEMBL2995703

SCHEMBL2995703

O=Cc1ccc(-c2c(C3CCCCC3)c3sc(C(=O)O)cc3n2CC(=O)N2CCOCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
PTGS2 P35354 2/20 0.35
EGFR P00533 3/20 0.35
TYMS P04818 3/20 0.35
LTA4H P09960 3/20 0.35
VDR P11473 3/20 0.35
SRC P12931 3/20 0.35
MAPK1 P28482 3/20 0.35
CTSK P43235 3/20 0.35
GRIN2B Q13224 3/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
HRH1 P35367 1/20 0.33
GRIN1 Q05586 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NOTUM Q6P988 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 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
SCHEMBL2988730 0.91 MAPK1 (0.43) ALDH1A1PTGS2EGFRTYMSLTA4H
SCHEMBL2996624 0.90 MAPK1 (0.44) ALDH1A1EGFRTYMSLTA4HVDR
SCHEMBL2997041 0.90 MAPK1 (0.44) ALDH1A1EGFRTYMSLTA4HVDR
SCHEMBL5230369 0.88 ALDH1A1 (0.38) ALDH1A1PTGS2EGFRTYMSLTA4H
SCHEMBL424159 0.88 GRIN1 (0.46) ALDH1A1PTGS2GRIN2BGRIN1HSD17B10
SCHEMBL2997172 0.84 RAB9A (0.38) ALDH1A1EGFRTYMSLTA4HVDR
SCHEMBL4872850 0.84 BRD4 (0.39) ALDH1A1EGFRTYMSLTA4HVDR
SCHEMBL4878856 0.84 GRIN2B (0.38) PTGS2EGFRTYMSLTA4HVDR
SCHEMBL2996596 0.84 MAPT (0.40) ALDH1A1PTGS2EGFRGRIN2BBRD4
SCHEMBL2995706 0.84 PTGS2 (0.44) ALDH1A1PTGS2EGFRTYMSLTA4H

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 ALDH1A1 397/4885PTGS2 2650/4885EGFR 3850/4885

“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.