SCHEMBL2994261

SCHEMBL2994261

COCn1c(-c2ccc(Cl)cc2)c(C2CCCCC2)c2sc(C(=O)O)cc21

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.34
PTGDR Q13258 4/20 0.34
PTGER2 P43116 1/20 0.33
CNR1 P21554 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
TACR1 P25103 1/20 0.33
ERCC5 P28715 1/20 0.33
FEN1 P39748 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
SCHEMBL2998221 0.93 NR1H4 (0.37) PTGDR2PTGDRCNR1MAPTSLC6A3
SCHEMBL2992060 0.91 FABP4 (0.34) CNR1TP53MAPTERCC5FEN1
SCHEMBL2998826 0.85 KDM4E (0.36) TP53MAPT
SCHEMBL2987937 0.85 CNR1 (0.35) CNR1MAPT
SCHEMBL2999724 0.85 NR1H4 (0.36) PTGDR2PTGDRPTGER2CNR1MAPT
SCHEMBL2992096 0.84 CYP3A4 (0.41) CNR1TP53MAPTCYP3A4CYP2C19
SCHEMBL2997041 0.80 MAPK1 (0.44) TP53MAPTCYP3A4TACR1
SCHEMBL2988625 0.80 PTGDR (0.35) PTGDR2PTGDRCNR1SLC6A3TACR1
SCHEMBL2994263 0.80 ALOX5 (0.36) TP53MAPT
SCHEMBL2989195 0.79 CNR1 (0.38) CNR1

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 3 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 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 PTGDR2 1883/4885PTGDR 981/4885PTGER2 2132/4885

“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.