SCHEMBL2995706

SCHEMBL2995706

O=Cc1ccc(-c2c(-c3ccccc3)c3sc(C(=O)O)cc3n2CC(=O)N2CCOCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.44
MAPK1 P28482 2/20 0.43
EGFR P00533 1/20 0.43
TYMS P04818 1/20 0.43
LTA4H P09960 1/20 0.43
VDR P11473 1/20 0.43
SRC P12931 1/20 0.43
CTSK P43235 1/20 0.43
GRIN2B Q13224 4/20 0.42
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 3/20 0.41
MAPT P10636 1/20 0.40
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL2988735 0.92 MAPK1 (0.49) PTGS2MAPK1EGFRTYMSLTA4H
SCHEMBL2996625 0.89 MAPK1 (0.48) PTGS2MAPK1EGFRTYMSLTA4H
SCHEMBL2997044 0.89 EGFR (0.48) PTGS2MAPK1EGFRTYMSLTA4H
SCHEMBL424160 0.86 PTGS2 (0.48) PTGS2MAPK1EGFRTYMSLTA4H
SCHEMBL2997178 0.84 EGFR (0.44) PTGS2MAPK1EGFRTYMSLTA4H
SCHEMBL2996607 0.84 ALDH1A1 (0.43) PTGS2MAPK1EGFRTYMSLTA4H
SCHEMBL2995703 0.84 ALDH1A1 (0.38) PTGS2MAPK1EGFRTYMSLTA4H
SCHEMBL4878860 0.83 GRIN2B (0.46) PTGS2MAPK1EGFRTYMSLTA4H
SCHEMBL4872858 0.83 BRD4 (0.45) PTGS2MAPK1EGFRTYMSLTA4H
SCHEMBL2995098 0.81 MAPK1 (0.44) PTGS2MAPK1EGFRTYMSLTA4H

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 6 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-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 PTGS2 2650/4885MAPK1 3424/4885EGFR 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.