SCHEMBL17813869

SCHEMBL17813869

CCOC(=O)c1ccccc1-c1csc2c(-c3ccccc3)c(C(=O)OCC)sc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
MAPT P10636 7/20 0.44
ALDH1A1 P00352 6/20 0.44
HPGD P15428 5/20 0.44
HSD17B10 Q99714 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CDC7 O00311 3/20 0.44
DBF4 Q9UBU7 3/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 2/20 0.44
GAA P10253 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALOX15 P16050 2/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GRM6 O15303 1/20 0.44
PTPRC P08575 1/20 0.43
PTPRF P10586 1/20 0.43

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
SCHEMBL17808350 0.89 TSHR (0.43) TSHRMAPTALDH1A1HPGDHSD17B10
SCHEMBL16429645 0.85 TSHR (0.56) TSHRMAPTALDH1A1HPGDHSD17B10
SCHEMBL16429651 0.82 ALDH1A1 (0.49) MAPTALDH1A1HPGDHSD17B10RAB9A
SCHEMBL16429545 0.80 ALDH1A1 (0.55) MAPTALDH1A1HPGDHSD17B10RAB9A
SCHEMBL17808360 0.80 TSHR (0.49) TSHRMAPTALDH1A1HPGDHSD17B10
SCHEMBL396552 0.75 TSHR (0.69) TSHRMAPTALDH1A1HPGDHSD17B10
SCHEMBL29617021 0.75 TSHR (0.80) TSHRMAPTALDH1A1HSD17B10RAB9A
SCHEMBL3683272 0.75 TSHR (0.80) TSHRMAPTALDH1A1HSD17B10RAB9A
Bicarbonate SCHEMBL5706047 0.74 TSHR (0.62) TSHRMAPTALDH1A1HPGDHSD17B10
Bicarbonate SCHEMBL27449726 0.74 TSHR (0.67) TSHRMAPTALDH1A1HPGDHSD17B10

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
US-9876182-B2 Thieno-containing compounds and processes and uses thereof UNIVERSITY OF OREGON (US) 2018-01-23 US disclosed
US-20160164011-A1 THIENO-CONTAINING COMPOUNDS AND PROCESSES AND USES THEREOF UNIVERSITY OF OREGON (US) 2016-06-09 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-20160164011-A1 THIENO-CONTAINING COMPOUNDS AND PROCESSES AND USES THEREOF TERT, TES, DDT TSHR 981/4885MAPT 4115/4885ALDH1A1 245/4885

“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.