SCHEMBL3086128

SCHEMBL3086128

CC(C)N(C(=O)C(Cc1cccc(C#N)c1)C(=O)NS(=O)(=O)C=Cc1ccccc1)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.43
CNR2 P34972 2/20 0.43
CTSB P07858 3/20 0.36
CTSS P25774 3/20 0.36
CTSK P43235 3/20 0.36
CTSL P07711 2/20 0.36
PIN1 Q13526 1/20 0.36
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
CTSD P07339 2/20 0.35
BACE1 P56817 2/20 0.35
BACE2 Q9Y5Z0 2/20 0.35
HTT P42858 1/20 0.35
MAOB P27338 1/20 0.35
POLB P06746 1/20 0.34
ADAMTS4 O75173 1/20 0.34
MMP13 P45452 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34

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
SCHEMBL3086124 1.00 CNR1 (0.43) CNR1CNR2CTSBCTSSCTSK
SCHEMBL3078557 0.91 CNR1 (0.41) CNR1CNR2PKMKMT2AHTT
SCHEMBL3078553 0.91 CNR1 (0.41) CNR1CNR2PKMKMT2AHTT
SCHEMBL3093147 0.90 OPRM1 (0.40) PKMKMT2AHTTPOLBOPRM1
SCHEMBL3093154 0.90 OPRM1 (0.40) PKMKMT2AHTTPOLBOPRM1
SCHEMBL3097177 0.88 CTSV (0.37) CNR1CNR2CTSBCTSSCTSK
SCHEMBL3097186 0.88 CTSV (0.37) CNR1CNR2CTSBCTSSCTSK
SCHEMBL3103817 0.87 KMT2A (0.42) PKMKMT2AHTTPOLBNOS3
SCHEMBL3103813 0.87 KMT2A (0.42) PKMKMT2AHTTPOLBNOS3
SCHEMBL3091579 0.86 CYP3A4 (0.40) CTSLPIN1PKMKMT2ACTSD

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
EP-2172450-B9 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-08 EP disclosed
EP-2172450-B1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2013-10-16 EP disclosed
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 US disclosed
EP-2172450-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-07 EP 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-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 CNR1 1167/4885CNR2 907/4885CTSB 2516/4885

“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.