SCHEMBL2990441

SCHEMBL2990441

COc1ccc(-c2c(-c3ccccc3)c3sc(C(=O)O)cc3n2CC(=O)N2CCOCC2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.42
EGFR P00533 1/20 0.40
TYMS P04818 1/20 0.40
LTA4H P09960 1/20 0.40
VDR P11473 1/20 0.40
SRC P12931 1/20 0.40
MAPK1 P28482 1/20 0.40
CTSK P43235 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
TP53 P04637 1/20 0.38
MDM2 Q00987 1/20 0.38

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
SCHEMBL424160 0.87 PTGS2 (0.48) GRIN2BEGFRTYMSLTA4HVDR
SCHEMBL2997044 0.86 EGFR (0.48) GRIN2BEGFRTYMSLTA4HVDR
SCHEMBL2988735 0.86 MAPK1 (0.49) GRIN2BEGFRTYMSLTA4HVDR
SCHEMBL2997178 0.85 EGFR (0.44) GRIN2BEGFRTYMSLTA4HVDR
SCHEMBL2990438 0.85 LMNA (0.38) GRIN2BEGFRTYMSLTA4HVDR
SCHEMBL2996625 0.84 MAPK1 (0.48) GRIN2BEGFRTYMSLTA4HVDR
SCHEMBL2995098 0.84 MAPK1 (0.44) GRIN2BEGFRTYMSLTA4HVDR
SCHEMBL2995706 0.81 PTGS2 (0.44) GRIN2BEGFRTYMSLTA4HVDR
SCHEMBL2996607 0.80 ALDH1A1 (0.43) GRIN2BEGFRTYMSLTA4HVDR
SCHEMBL2994319 0.79 MAPK1 (0.44) GRIN2BEGFRTYMSLTA4HVDR

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 GRIN2B 2535/4885EGFR 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.