SCHEMBL3661717

SCHEMBL3661717

CCOC(=O)c1cc(CC)sc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.67
MAPK1 P28482 1/20 0.67
ALDH1A1 P00352 6/20 0.55
KMT2A Q03164 4/20 0.55
MAPT P10636 6/20 0.53
KDM4E B2RXH2 6/20 0.53
POLB P06746 2/20 0.53
HIF1A Q16665 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALOX12 P18054 1/20 0.52
NPSR1 Q6W5P4 1/20 0.50
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
HPGD P15428 3/20 0.48
LMNA P02545 3/20 0.48
TSHR P16473 2/20 0.48
MEN1 O00255 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
THRB P10828 1/20 0.46

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
SCHEMBL168837 0.83 GAA (0.71) GAAMAPK1ALDH1A1KMT2AMAPT
SCHEMBL8630782 0.83 DAO (0.53) GAAMAPK1ALDH1A1KMT2AMAPT
SCHEMBL26281512 0.80 GAA (0.46) GAAMAPK1ALDH1A1KMT2AMAPT
SCHEMBL1973680 0.80 GAA (1.00) GAAMAPK1ALDH1A1KMT2AMAPT
SCHEMBL3659952 0.80 GAA (0.67) GAAMAPK1ALDH1A1KMT2AMAPT
SCHEMBL3663408 0.79 DAO (0.57) GAAMAPK1ALDH1A1KMT2AMAPT
SCHEMBL14668546 0.78 GAA (0.63) GAAMAPK1ALDH1A1KMT2AMAPT
SCHEMBL20733723 0.76 GAA (0.43) GAAMAPK1ALDH1A1KMT2AMAPT
SCHEMBL9429371 0.75 CA1 (0.52) GAAMAPK1ALDH1A1KMT2AMAPT
SCHEMBL13431203 0.75 ALDH1A1 (0.74) GAAMAPK1ALDH1A1KMT2AMAPT

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 GAA 959/4885MAPK1 477/4885ALDH1A1 285/4885

“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.