SCHEMBL1993789

SCHEMBL1993789

CCOC(=O)Cc1cn(C(=O)O)c2sccc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
PTGDR2 Q9Y5Y4 2/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
PKM P14618 2/20 0.39
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35

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 0.84 L3MBTL1 (0.65) L3MBTL1PTGDR2AKR1C3PKMKMT2A
SCHEMBL28935816 0.80 PTGDR2 (0.40) PTGDR2AKR1C3AKR1C2KMT2ATSHR
SCHEMBL1994265 0.79 PTGDR2 (0.42) PTGDR2AKR1C3AKR1C2
SCHEMBL1993957 0.79 L3MBTL1 (0.44) L3MBTL1PTGDR2AKR1C3AKR1C2PKM
SCHEMBL1226938 0.76 L3MBTL1 (0.71) L3MBTL1AKR1C3AKR1C2PKMMAPT
SCHEMBL1995665 0.73 ICMT (0.37) L3MBTL1PTGDR2TSHRSMN1; SMN2
SCHEMBL1995369 0.71 L3MBTL1 (0.49) L3MBTL1PTGDR2AKR1C3AKR1C2KMT2A
SCHEMBL12631148 0.70 PTGDR2 (0.48) L3MBTL1PTGDR2AKR1C3AKR1C2
SCHEMBL2779430 0.70 PKM (0.46) L3MBTL1PKMKMT2ATDP1GAA
SCHEMBL1992109 0.69 PKM (0.58) PKMKMT2AMAPTTDP1SMN1; SMN2

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 3898/4885PTGDR2 61/4885AKR1C3 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.