SCHEMBL1992228

SCHEMBL1992228

CCOC(=O)C(=O)c1cn(C(=O)O)c2ccsc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 5/20 0.37
TSHR P16473 4/20 0.37
MAPT P10636 3/20 0.37
ATM Q13315 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HSD17B10 Q99714 3/20 0.36
PKM P14618 1/20 0.36
FEN1 P39748 2/20 0.35
KDM4E B2RXH2 3/20 0.35
GAA P10253 2/20 0.35
CYP19A1 P11511 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 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
SCHEMBL1988689 0.84 L3MBTL1 (0.46) POLBKMT2AMEN1ALDH1A1TSHR
SCHEMBL1995769 0.80 KMT2A (0.36) POLBKMT2AMEN1ALDH1A1TSHR
SCHEMBL1993957 0.77 L3MBTL1 (0.44) POLBALDH1A1TSHRMAPTATM
SCHEMBL1992149 0.68 L3MBTL1 (0.36) KMT2AMEN1ALDH1A1TSHRFEN1
SCHEMBL1992879 0.68 L3MBTL1 (0.42) KMT2AMEN1ALDH1A1MAPTATM
SCHEMBL4069462 0.67 TSHR (0.47) POLBKMT2AMEN1ALDH1A1TSHR
SCHEMBL25078299 0.66 KMT2A (0.59) KMT2AMEN1ALDH1A1MAPTATM
SCHEMBL8501054 0.65 GSK3B (0.51) POLBKMT2AMEN1ALDH1A1MAPT
SCHEMBL12172196 0.65 TSHR (0.49) KMT2AMEN1ALDH1A1TSHRMAPT
SCHEMBL6050604 0.65 BAZ2B (0.47) POLBKMT2AMEN1ALDH1A1TSHR

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 POLB 3713/4885KMT2A 3648/4885MEN1 427/4885

“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.