SCHEMBL939732

SCHEMBL939732

CCOC(=O)c1csc(-c2ccncc2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CDC7 O00311 8/20 0.51
DBF4 Q9UBU7 8/20 0.51
PKN1 Q16512 1/20 0.50
PKN2 Q16513 1/20 0.50
IMPDH2 P12268 1/20 0.50
CASP1 P29466 1/20 0.48
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
MAPK14 Q16539 2/20 0.46
MMP2 P08253 1/20 0.46
MMP13 P45452 1/20 0.46
MMP14 P50281 1/20 0.46
GCGR P47871 1/20 0.46
NAMPT P43490 1/20 0.45

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
SCHEMBL938199 0.87 HPGD (0.55) ALDH1A1HPGDHSD17B10
SCHEMBL31706596 0.84 CYP2C9 (0.47) ALDH1A1HPGDHSD17B10CDC7DBF4
SCHEMBL980974 0.84 PRKCZ (0.53) HSD17B10GCGR
SCHEMBL31704904 0.84 CYP2C9 (0.47) ALDH1A1HPGDHSD17B10CDC7DBF4
SCHEMBL5237356 0.84 MAPT (0.56) ALDH1A1HPGDMAPK14GCGR
SCHEMBL1724832 0.83 CDC7 (0.53) ALDH1A1HPGDHSD17B10CDC7DBF4
SCHEMBL27677394 0.83 CYP46A1 (0.47) ALDH1A1HPGDHSD17B10PKN1PKN2
SCHEMBL9454728 0.81 HSD17B10 (0.53) ALDH1A1HPGDHSD17B10CDC7DBF4
SCHEMBL12172203 0.81 TRPM8 (0.52) ALDH1A1HPGDHSD17B10
SCHEMBL29383542 0.80 MAPT (0.60) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2283004-B1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE UNIV EDINBURGH (GB) 2015-05-27 EP disclosed
EP-2283004-B1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE UNIV EDINBURGH (GB) 2015-05-27 EP disclosed
US-8614209-B2 Amido-thiophene compounds and their use THE UNIVERSITY OF EDINBURGH (GB) 2013-12-24 US disclosed
US-20130012545-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2013-01-10 US disclosed
US-20130012545-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2013-01-10 US disclosed
US-20130012545-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2013-01-10 US disclosed
US-8299063-B2 Amido-thiophene compounds and their use THE UNIVERSITY OF EDINBURGH (GB) 2012-10-30 US disclosed
US-8299063-B2 Amido-thiophene compounds and their use THE UNIVERSITY OF EDINBURGH (GB) 2012-10-30 US disclosed
US-8299063-B2 Amido-thiophene compounds and their use THE UNIVERSITY OF EDINBURGH (GB) 2012-10-30 US disclosed
EP-2283004-A1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE THE UNIVERSITY OF EDINBURGH (GB) 2011-02-16 EP disclosed
US-20110015178-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2011-01-20 US disclosed
US-20110015178-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2011-01-20 US disclosed
US-20110015178-A1 Amido-Thiophene Compounds and Their Use THE UNIVERSITY OF EDINBURGH (GB) 2011-01-20 US disclosed
WO-2009112845-A1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE THE UNIVERSITY OF EDINBURGH (GB) 2009-09-17 WO 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 (2 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-20110015178-A1 Amido-Thiophene Compounds and Their Use HSD11B1, HSD11B2, HSD17B1 ALDH1A1 328/4885HPGD 215/4885HSD17B10 11/4885
US-20130012545-A1 Amido-Thiophene Compounds and Their Use HSD11B1, HSD11B2, HSD17B1 ALDH1A1 328/4885HPGD 215/4885HSD17B10 11/4885

“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.