SCHEMBL1992807

SCHEMBL1992807

COC(=O)Cc1cn(C(=O)OC(C)(C)C)c2ccsc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
HTR6 P50406 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.37
EPHX1 P07099 1/20 0.35
AKR1C3 P42330 2/20 0.34
FEN1 P39748 1/20 0.34
BCHE P06276 1/20 0.34
PDE10A Q9Y233 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ADAM17 P78536 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MTNR1A P48039 3/20 0.32
MTNR1B P49286 3/20 0.32
CYP1A2 P05177 1/20 0.31
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL1996984 0.88 L3MBTL1 (0.65) L3MBTL1HTR6PTGDR2EPHX1FEN1
SCHEMBL28935614 0.88 L3MBTL1 (0.46) L3MBTL1HTR6PTGDR2EPHX1FEN1
SCHEMBL28935624 0.88 PTGDR2 (0.48) L3MBTL1HTR6PTGDR2EPHX1AKR1C3
SCHEMBL28935653 0.84 L3MBTL1 (0.43) L3MBTL1HTR6PTGDR2EPHX1FEN1
SCHEMBL1995369 0.81 L3MBTL1 (0.49) L3MBTL1HTR6PTGDR2EPHX1AKR1C3
SCHEMBL28935550 0.80 L3MBTL1 (0.41) L3MBTL1HTR6PTGDR2EPHX1FEN1
SCHEMBL2018732 0.78 L3MBTL1 (0.78) L3MBTL1HTR6EPHX1AKR1C3PDE10A
SCHEMBL1992149 0.78 L3MBTL1 (0.36) L3MBTL1HTR6EPHX1FEN1BCHE
SCHEMBL29651147 0.78 L3MBTL1 (0.78) L3MBTL1HTR6EPHX1AKR1C3PDE10A
SCHEMBL28935605 0.77 L3MBTL1 (0.43) L3MBTL1HTR6PTGDR2EPHX1FEN1

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 368/4885PTGDR2 61/4885

“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.