SCHEMBL2603254

SCHEMBL2603254

CCC(C)S(=O)(=O)N1CCC(C(C)C)CC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
EPHX2 P34913 1/20 0.33
DPP4 P27487 3/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
HCRTR2 O43614 4/20 0.31
ALDH1A1 P00352 2/20 0.30
MAPT P10636 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRL1 P41146 1/20 0.30

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
SCHEMBL2606114 0.85 KDM4E (0.42) SMN1; SMN2ALDH1A1MAPT
SCHEMBL19123966 0.83 POLB (0.38) ALDH1A1
SCHEMBL2603251 0.82 EPHX2 (0.46) EPHX2
SCHEMBL15722360 0.79 L3MBTL1 (0.44) SMN1; SMN2EPHX2ALDH1A1MAPT
SCHEMBL14605293 0.79 CA1 (0.37) SMN1; SMN2ALDH1A1MAPT
SCHEMBL14148349 0.79 DPP4 (0.35) SMN1; SMN2EPHX2DPP4
SCHEMBL25497902 0.78 EPHX2 (0.34) EPHX2
SCHEMBL30341350 0.78 CA1 (0.41) SMN1; SMN2EPHX2ALDH1A1MAPT
SCHEMBL19783762 0.76 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1
SCHEMBL4096090 0.75 CA1 (0.42) SMN1; SMN2EPHX2DPP4DPP8DPP9

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 3 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-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders THE UNIVERSITY OF EDINBURGH (GB) 2012-04-19 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

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-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders HSD11B1, HSD11B2, HSD3B1 SMN1; SMN2 2552/4885EPHX2 1225/4885DPP4 434/4885
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors HSD11B1, HSD11B2, HSD17B1 SMN1; SMN2 2427/4885EPHX2 834/4885DPP4 251/4885

“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.