SCHEMBL3712460

SCHEMBL3712460

O=C(c1csc(C2CCNCC2)c1)N1CCCCCC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.55
MAPK1 P28482 1/20 0.55
L3MBTL3 Q96JM7 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
PLAT P00750 4/20 0.44
ALDH1A1 P00352 1/20 0.44
HRH3 Q9Y5N1 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MBTD1 Q05BQ5 3/20 0.39
HSD11B1 P28845 1/20 0.39
CDK1 P06493 1/20 0.39
CDK2 P24941 1/20 0.39
CASP3 P42574 1/20 0.39
GSK3B P49841 1/20 0.39
CDK7 P50613 1/20 0.39
CDK9 P50750 1/20 0.39
CASP7 P55210 1/20 0.39
CDK12 Q9NYV4 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL3659427 0.88 HPGD (0.60) HPGDMAPK1L3MBTL3L3MBTL1ALDH1A1
SCHEMBL3660572 0.87 HPGD (0.50) HPGDMAPK1L3MBTL3L3MBTL1ALDH1A1
SCHEMBL13124651 0.85 GRM5 (0.46) HPGDMAPK1L3MBTL3L3MBTL1PLAT
SCHEMBL3657223 0.85 PLAT (0.44) HPGDMAPK1L3MBTL3L3MBTL1PLAT
SCHEMBL13124506 0.85 PLAT (0.46) HPGDMAPK1L3MBTL3L3MBTL1PLAT
SCHEMBL13124960 0.84 HPGD (0.56) HPGDMAPK1L3MBTL3L3MBTL1ALDH1A1
SCHEMBL13124477 0.84 PLAT (0.49) HPGDMAPK1L3MBTL3L3MBTL1PLAT
SCHEMBL3664581 0.83 HPGD (0.55) HPGDMAPK1L3MBTL3L3MBTL1ALDH1A1
SCHEMBL3660247 0.83 HPGD (0.55) HPGDMAPK1L3MBTL3L3MBTL1ALDH1A1
SCHEMBL13124491 0.82 ALDH1A1 (0.53) HPGDALDH1A1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362008-B2 Amido-thiophene compounds and their use as 11-beta-HSD1 inhibitors THE UNIVERSITY OF EDINBURGH (GB) 2013-01-29 US disclosed
US-8362008-B2 Amido-thiophene compounds and their use as 11-beta-HSD1 inhibitors THE UNIVERSITY OF EDINBURGH (GB) 2013-01-29 US disclosed
US-8362008-B2 Amido-thiophene compounds and their use as 11-beta-HSD1 inhibitors THE UNIVERSITY OF EDINBURGH (GB) 2013-01-29 US disclosed
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors THE UNIVERSITY OF EDINBURGH 2010-10-21 US disclosed
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors THE UNIVERSITY OF EDINBURGH 2010-10-21 US disclosed
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors THE UNIVERSITY OF EDINBURGH 2010-10-21 US disclosed
EP-2229374-A1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE AS 11-BETA-HSD1 INHIBITORS THE UNIVERSITY OF EDINBURGH (GB) 2010-09-22 EP disclosed
WO-2009074789-A1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE AS 11-BETA-HSD1 INHIBITORS THE UNIVERSITY OF EDINBURGH (GB) 2009-06-18 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 (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-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors HSD11B1, HSD11B2, HSD17B1 HPGD 190/4885MAPK1 477/4885L3MBTL3 4454/4885

“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.