SCHEMBL14033862

SCHEMBL14033862

O=C(O)CCC1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.52
ACLY P53396 2/20 0.48
EPHX2 P34913 3/20 0.40
ATM Q13315 1/20 0.40
SPR P35270 2/20 0.39
AKR1C3 P42330 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
SLC13A5 Q86YT5 1/20 0.37

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
SCHEMBL14034045 0.82 CNR1 (0.55) CNR1ACLYEPHX2ATMSPR
SCHEMBL3812765 0.81 CNR1 (0.49) CNR1ACLYEPHX2ATMAKR1C3
SCHEMBL494593 0.78 CNR1 (0.50) CNR1ACLYEPHX2ATMAKR1C3
SCHEMBL4121025 0.76 CNR1 (0.46) CNR1ACLYATMSPRAKR1C3
SCHEMBL493650 0.73 CNR1 (0.48) CNR1ACLYATMSPRAKR1C3
SCHEMBL30948996 0.73 ALDH1A1 (0.48) ATMGAAHTT
SCHEMBL14222132 0.72 CYP3A4 (0.44) CNR1EPHX2GAAHTT
SCHEMBL14034050 0.72 CNR1 (0.55) CNR1EPHX2ATMGAAHTT
SCHEMBL14033621 0.72 CNR1 (0.44) CNR1ACLYEPHX2HTT
SCHEMBL4740140 0.71 CNR1 (0.46) CNR1ACLYEPHX2HTT

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-8809345-B2 6-cycloalkyl-pyrazolopyrimidinones for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-19 US disclosed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 US disclosed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 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 (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-20080249128-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 CNR1 6/4885ACLY 4105/4885EPHX2 1287/4885

“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.