SCHEMBL2990686

SCHEMBL2990686

COC(=O)c1sc2c(C3CCCCC3)c(-c3ccc(Cl)cc3)n(CC(=O)OC(C)(C)C)c2c1C1OCCO1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.32
BRD4 O60885 1/20 0.32
SLC6A3 Q01959 4/20 0.31
CNR1 P21554 1/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
TP53 P04637 1/20 0.30
THRB P10828 1/20 0.30
PTGDR Q13258 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
JAK3 P52333 1/20 0.30

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
SCHEMBL2990690 0.85 MAPT (0.33) CCKBRBRD4MAPTKDM4ENPC1
SCHEMBL2997191 0.84 CNR1 (0.36) SLC6A3CNR1MAPTKDM4ENPC1
SCHEMBL2988625 0.80 PTGDR (0.35) CCKBRBRD4SLC6A3CNR1PTGDR
SCHEMBL2982698 0.76 KDM4E (0.35) SLC6A3CNR1MAPTKDM4ENPC1
SCHEMBL2987823 0.73 SLC6A3 (0.34) SLC6A3CNR1MAPTKDM4ENPC1
SCHEMBL2998707 0.72 KDM4E (0.36) SLC6A3MAPTKDM4E
SCHEMBL2999724 0.70 NR1H4 (0.36) SLC6A3CNR1MAPTKDM4ENPC1
SCHEMBL2986521 0.69 NR1H2 (0.36) SLC6A3CNR1MAPTTP53THRB
SCHEMBL13096065 0.69 CYP3A4 (0.39) PTGDRPTGDR2
SCHEMBL2998221 0.69 NR1H4 (0.37) SLC6A3CNR1MAPTKDM4ENPC1

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 CCKBR 691/4885BRD4 379/4885SLC6A3 1224/4885

“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.