SCHEMBL3663286

SCHEMBL3663286

CCOC(=O)c1cc(C2CCN(C(=O)OCc3ccccc3)CC2)sc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.54
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
CYP2C19 P33261 1/20 0.52
ALDH1A1 P00352 4/20 0.49
GAA P10253 4/20 0.49
MAPT P10636 3/20 0.49
HSD17B10 Q99714 2/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
BRD4 O60885 1/20 0.47
HTT P42858 2/20 0.45
GRIN2B Q13224 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PDE4B Q07343 1/20 0.44
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 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
SCHEMBL3663510 0.82 GAA (0.46) SMN1; SMN2RAB9ANPC1ALDH1A1GAA
SCHEMBL13160409 0.81 GAA (0.46) SMN1; SMN2RAB9ANPC1ALDH1A1GAA
SCHEMBL3718737 0.81 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1GAAMAPTHSD17B10
SCHEMBL14507429 0.81 SMN1; SMN2 (0.51) SMN1; SMN2RAB9ANPC1CYP2C19ALDH1A1
SCHEMBL13160408 0.81 SMN1; SMN2 (0.55) SMN1; SMN2RAB9ANPC1CYP2C19ALDH1A1
SCHEMBL3656140 0.80 SMN1; SMN2 (0.53) SMN1; SMN2RAB9ANPC1CYP2C19ALDH1A1
SCHEMBL8549063 0.76 TSHR (0.53) SMN1; SMN2RAB9ANPC1CYP2C19ALDH1A1
SCHEMBL8626081 0.76 SMN1; SMN2 (0.51) SMN1; SMN2RAB9ANPC1CYP2C19ALDH1A1
SCHEMBL8314906 0.76 SMN1; SMN2 (0.58) SMN1; SMN2RAB9ANPC1CYP2C19MEN1
SCHEMBL3662214 0.75 GAA (0.57) SMN1; SMN2RAB9ANPC1ALDH1A1GAA

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 9 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
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 SMN1; SMN2 2427/4885RAB9A 2804/4885NPC1 204/4885

“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.