SCHEMBL2996624

SCHEMBL2996624

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.44
EGFR P00533 2/20 0.44
TYMS P04818 2/20 0.44
LTA4H P09960 2/20 0.44
VDR P11473 2/20 0.44
SRC P12931 2/20 0.44
CTSK P43235 2/20 0.44
GRIN2B Q13224 4/20 0.40
FKBP1A P62942 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
USP2 O75604 1/20 0.38
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TP53 P04637 2/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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 0.92 MAPK1 (0.43) MAPK1EGFRTYMSLTA4HVDR
SCHEMBL2997041 0.91 MAPK1 (0.44) MAPK1EGFRTYMSLTA4HVDR
SCHEMBL424159 0.91 GRIN1 (0.46) GRIN2BFKBP1AALDH1A1HPGDUSP2
SCHEMBL4878856 0.91 GRIN2B (0.38) MAPK1EGFRTYMSLTA4HVDR
SCHEMBL2995703 0.90 ALDH1A1 (0.38) MAPK1EGFRTYMSLTA4HVDR
SCHEMBL4872850 0.89 BRD4 (0.39) MAPK1EGFRTYMSLTA4HVDR
SCHEMBL5234725 0.87 EGFR (0.42) MAPK1EGFRTYMSLTA4HVDR
SCHEMBL2997172 0.86 RAB9A (0.38) MAPK1EGFRTYMSLTA4HVDR
SCHEMBL2996596 0.86 MAPT (0.40) EGFRGRIN2BALDH1A1HPGDBRD4
SCHEMBL2990438 0.86 LMNA (0.38) 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.