SCHEMBL1990987

SCHEMBL1990987

CC(C)(C)OC(=O)n1cc(CC(N)=O)c2ccsc21

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
HTR6 P50406 1/20 0.41
EPHX1 P07099 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
FABP4 P15090 1/20 0.37
BCHE P06276 1/20 0.35
PLA2G2A P14555 2/20 0.34
ICMT O60725 11/20 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
SCHEMBL28935680 0.89 L3MBTL1 (0.46) L3MBTL1HTR6EPHX1PTGDR2BCHE
SCHEMBL12631148 0.89 PTGDR2 (0.48) L3MBTL1HTR6EPHX1PTGDR2BCHE
SCHEMBL1995369 0.86 L3MBTL1 (0.49) L3MBTL1HTR6EPHX1PTGDR2BCHE
SCHEMBL1998282 0.84 L3MBTL1 (0.65) L3MBTL1HTR6EPHX1PTGDR2BCHE
SCHEMBL28935632 0.83 HTR6 (0.39) L3MBTL1HTR6EPHX1PTGDR2BCHE
SCHEMBL11948700 0.82 L3MBTL1 (0.43) L3MBTL1HTR6EPHX1PTGDR2BCHE
SCHEMBL1994265 0.80 PTGDR2 (0.42) PTGDR2FABP4PLA2G2AICMT
SCHEMBL28935728 0.78 L3MBTL1 (0.41) L3MBTL1HTR6EPHX1PTGDR2BCHE
SCHEMBL30777140 0.77 L3MBTL1 (0.72) L3MBTL1HTR6EPHX1FABP4ICMT
SCHEMBL12631144 0.74 BCHE (0.36) L3MBTL1HTR6BCHE

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011079105-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 WO disclosed
WO-2011079105-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 WO disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US 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-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO L3MBTL1 3898/4885HTR6 368/4885EPHX1 741/4885

“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.