SCHEMBL1995369

SCHEMBL1995369

COC(=O)Cc1cn(C(=O)OC(C)(C)C)c2sccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
HTR6 P50406 1/20 0.40
AKR1C3 P42330 3/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.37
BCHE P06276 1/20 0.34
EPHX1 P07099 1/20 0.33
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.33
GLA P06280 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 3/20 0.32
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
PDE10A Q9Y233 1/20 0.32
ICMT O60725 1/20 0.32
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
AKR1C2 P52895 1/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL1998282 0.88 L3MBTL1 (0.65) L3MBTL1HTR6AKR1C3PTGDR2BCHE
SCHEMBL28935680 0.88 L3MBTL1 (0.46) L3MBTL1HTR6AKR1C3PTGDR2BCHE
SCHEMBL12631148 0.88 PTGDR2 (0.48) L3MBTL1HTR6AKR1C3PTGDR2BCHE
SCHEMBL1990987 0.86 L3MBTL1 (0.45) L3MBTL1HTR6PTGDR2BCHEEPHX1
SCHEMBL11948700 0.84 L3MBTL1 (0.43) L3MBTL1HTR6AKR1C3PTGDR2BCHE
SCHEMBL1992807 0.81 L3MBTL1 (0.49) L3MBTL1HTR6AKR1C3PTGDR2BCHE
SCHEMBL28935632 0.80 HTR6 (0.39) L3MBTL1HTR6PTGDR2BCHEEPHX1
SCHEMBL29651147 0.78 L3MBTL1 (0.78) L3MBTL1HTR6AKR1C3EPHX1ALDH1A1
SCHEMBL2018732 0.78 L3MBTL1 (0.78) L3MBTL1HTR6AKR1C3EPHX1ALDH1A1
SCHEMBL28935728 0.77 L3MBTL1 (0.41) L3MBTL1HTR6PTGDR2BCHEEPHX1

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 2 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
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 368/4885AKR1C3 593/4885

“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.