SCHEMBL1996984

SCHEMBL1996984

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

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.65
HTR6 P50406 1/20 0.39
HSD17B10 Q99714 2/20 0.37
TSHR P16473 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.35
KDM4E B2RXH2 1/20 0.34
EPHX1 P07099 1/20 0.34
PKM P14618 1/20 0.33
FEN1 P39748 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BCHE P06276 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
SCHEMBL1992807 0.88 L3MBTL1 (0.49) L3MBTL1HTR6PTGDR2KDM4EEPHX1
SCHEMBL28935614 0.85 L3MBTL1 (0.46) L3MBTL1HTR6PTGDR2EPHX1FEN1
SCHEMBL28935624 0.85 PTGDR2 (0.48) L3MBTL1HTR6PTGDR2EPHX1FEN1
SCHEMBL1993957 0.84 L3MBTL1 (0.44) L3MBTL1HSD17B10TSHRPTGDR2KDM4E
SCHEMBL28935653 0.82 L3MBTL1 (0.43) L3MBTL1HTR6PTGDR2EPHX1FEN1
SCHEMBL1998282 0.81 L3MBTL1 (0.65) L3MBTL1HTR6HSD17B10TSHRPTGDR2
SCHEMBL28935720 0.80 L3MBTL1 (0.57) L3MBTL1HTR6KDM4ESMN1; SMN2
SCHEMBL1988689 0.80 L3MBTL1 (0.46) L3MBTL1HTR6HSD17B10TSHRKDM4E
SCHEMBL28935605 0.80 L3MBTL1 (0.43) L3MBTL1HTR6PTGDR2EPHX1FEN1
SCHEMBL5740608 0.79 L3MBTL1 (1.00) L3MBTL1HTR6KDM4EEPHX1PKM

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115611895-A Arylamino derivative estrogen receptor modulators and uses thereof 四川海思科制药有限公司 2023-01-17 CN disclosed
WO-2011079105-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 WO disclosed
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
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US 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 368/4885HSD17B10 2995/4885

“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.