SCHEMBL240108

SCHEMBL240108

O=C(O)c1ccc(OCC2CCN(S(=O)(=O)c3ccccn3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.44
NR1H4 Q96RI1 1/20 0.43
PARP15 Q460N3 3/20 0.43
PARP10 Q53GL7 3/20 0.43
PARP2 Q9UGN5 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
GAA P10253 1/20 0.41
DGAT1 O75907 2/20 0.41
SSTR5 P35346 1/20 0.41
KCNH2 Q12809 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL942723 0.89 MEN1 (0.47) MEN1KMT2APTGDR2NPC1RAB9A
SCHEMBL240695 0.83 HSD11B1 (0.44) PTGDR2PARP15PARP10PARP2NPC1
SCHEMBL240258 0.78 HSD11B1 (0.45) PTGDR2NPC1CYP4F2CYP4A11
SCHEMBL8109510 0.77 PKM (0.48) MEN1KMT2APTGDR2NPC1RAB9A
SCHEMBL3921892 0.76 KDM4E (0.58) MEN1KMT2APTGDR2NPC1RAB9A
SCHEMBL416244 0.75 PARP15 (0.72) NR1H4PARP15PARP10PARP2PKM
SCHEMBL7581468 0.74 PARP15 (0.55) NR1H4PARP15PARP10PARP2NPC1
SCHEMBL14402670 0.74 MCHR1 (0.36) PTGDR2NPC1CYP4F2CYP4A11
SCHEMBL945641 0.73 PKM (0.51) PARP10PKM
SCHEMBL5688253 0.72 GRIN2B (0.43) MEN1KMT2ANPC1RAB9ACYP4F2

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 MEN1 1273/4885KMT2A 3823/4885PTGDR2 997/4885
US-20100292215-A1 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ACTIVE COMPOUNDS HSD11B1, HSD3B1, HSD17B1 MEN1 1287/4885KMT2A 3848/4885PTGDR2 957/4885

“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.