SCHEMBL1995769

SCHEMBL1995769

CCOC(=O)C(=O)c1cn(C(=O)O)c2sccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 6/20 0.35
CYP19A1 P11511 5/20 0.35
PKM P14618 1/20 0.35
MAPT P10636 3/20 0.35
GAA P10253 3/20 0.34
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR1A P08908 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL1992879 0.84 L3MBTL1 (0.42) KMT2AMEN1ALDH1A1CYP19A1PKM
SCHEMBL1992228 0.80 POLB (0.39) KMT2AMEN1ALDH1A1CYP19A1PKM
SCHEMBL1993789 0.76 L3MBTL1 (0.46) KMT2APKMMAPTGAAL3MBTL1
SCHEMBL1994321 0.69 BCHE (0.35) KMT2AMEN1ALDH1A1L3MBTL1TSHR
SCHEMBL12631144 0.68 BCHE (0.36) L3MBTL1
SCHEMBL1988689 0.68 L3MBTL1 (0.46) KMT2AMEN1ALDH1A1PKMPOLB
SCHEMBL25078299 0.65 KMT2A (0.59) KMT2AMEN1ALDH1A1PKMMAPT
SCHEMBL4004712 0.65 HDAC3 (0.50) KMT2AMEN1ALDH1A1PKMMAPT
SCHEMBL8501054 0.64 GSK3B (0.51) KMT2AMEN1ALDH1A1PKMMAPT
SCHEMBL12172196 0.64 TSHR (0.49) KMT2AMEN1ALDH1A1PKMMAPT

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 KMT2A 3648/4885MEN1 427/4885ALDH1A1 297/4885

“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.