SCHEMBL240109

SCHEMBL240109

O=C(O)c1ccc(OC(C2CCNCC2)S(=O)(=O)c2ccccn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.43
ITGB3 P05106 4/20 0.37
ITGA2B P08514 4/20 0.37
KMT2A Q03164 1/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 1/20 0.37
ELOVL6 Q9H5J4 1/20 0.36
SRD5A2 P31213 1/20 0.36
CDK2 P24941 1/20 0.36
AKT1 P31749 1/20 0.36

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
SCHEMBL240696 0.80 ALDH1A1 (0.34) SLC6A2KMT2ASLC6A4SLC6A3ELOVL6
SCHEMBL240259 0.78 HSD11B1 (0.41) SLC6A2ITGB3ITGA2BELOVL6
SCHEMBL4238401 0.68 KMT2A (0.55) KMT2ASRD5A2
SCHEMBL945641 0.67 PKM (0.51) SRD5A2
SCHEMBL240108 0.65 MEN1 (0.49) KMT2A
SCHEMBL5331611 0.65 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3
SCHEMBL3646089 0.65 KMT2A (0.54) KMT2ASLC6A3SRD5A2
Piperazine SCHEMBL27620266 0.65 HTR6 (0.44) AKT1
SCHEMBL8480253 0.64 HTR6 (0.41) SLC6A2SLC6A4SLC6A3ELOVL6
SCHEMBL31108993 0.64 KDM4E (0.63) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004209-A1 11-Beta-Hydroxysteroid Dehydrogenase Type 1 Active Compounds HIGH POINT PHARMACEUTICALS, LLC (US) 2012-01-05 US disclosed
US-8053447-B2 11β-hydroxysteroid dehydrogenase type 1 active compounds HIGH POINT PHARMACEUTICALS, LLC (US) 2011-11-08 US disclosed
US-20100292215-A1 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ACTIVE COMPOUNDS HIGH POINT PHARMACEUTICALS, LLC (US) 2010-11-18 US disclosed
EP-2010479-A1 11 BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ACTIVE COMPOUNDS High Point Pharmaceuticals, LLC (US) 2009-01-07 EP disclosed
WO-2007115935-A1 11β-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ACTIVE COMPOUNDS HIGH POINT PHARMACEUTICALS, LLC (US) 2007-10-18 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 (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-20120004209-A1 11-Beta-Hydroxysteroid Dehydrogenase Type 1 Active Compounds HSD11B1, HSD3B1, HSD11B2 SLC6A2 2810/4885ITGB3 4310/4885ITGA2B 4036/4885
US-20100292215-A1 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ACTIVE COMPOUNDS HSD11B1, HSD3B1, HSD17B1 SLC6A2 2821/4885ITGB3 4010/4885ITGA2B 3526/4885

“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.