SCHEMBL3663408

SCHEMBL3663408

CCc1cc(C(=O)O)c(Cl)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 4/20 0.57
ALDH1A1 P00352 5/20 0.46
GRIN2C Q14957 1/20 0.44
GAA P10253 3/20 0.44
MAPK1 P28482 2/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HSD17B10 Q99714 3/20 0.42
KDM4E B2RXH2 3/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
GSK3B P49841 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL3661717 0.79 GAA (0.67) ALDH1A1GAAMAPK1MEN1KMT2A
SCHEMBL14018717 0.78 ALDH1A1 (0.47) DAOALDH1A1GRIN2CGAAMAPK1
SCHEMBL3664149 0.77 ALDH1A1 (0.46) DAOALDH1A1GRIN2CGAAMAPK1
SCHEMBL2778266 0.77 GAA (0.65) DAOALDH1A1GRIN2CGAAMAPK1
SCHEMBL3663821 0.74 HPGD (0.52) ALDH1A1GAAMAPK1MEN1KMT2A
SCHEMBL13124266 0.74 HPGD (0.52) ALDH1A1GAAMAPK1MEN1KMT2A
SCHEMBL8629968 0.74 DAO (0.63) DAOALDH1A1MAPK1MEN1KMT2A
SCHEMBL17428969 0.73 ADORA2A (0.44) ALDH1A1GAAHPGDMAPTNPC1
SCHEMBL19588941 0.73 GAA (0.41) ALDH1A1GAAMAPK1MEN1KMT2A
SCHEMBL13281004 0.73 ALDH1A1 (0.54) DAOALDH1A1GRIN2CGAAMAPK1

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 DAO 1770/4885ALDH1A1 285/4885GRIN2C 326/4885

“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.