SCHEMBL3078557

SCHEMBL3078557

CC(C)N(C(=O)C(Cc1ccc(C#N)cc1)C(=O)NS(=O)(=O)C=Cc1ccccc1)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
POLB P06746 1/20 0.37
KMT2A Q03164 2/20 0.37
PKM P14618 1/20 0.37
RORC P51449 1/20 0.37
HTT P42858 1/20 0.36
PTGES2 Q9H7Z7 4/20 0.36
USP30 Q70CQ3 1/20 0.36
SNCA P37840 2/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
MEN1 O00255 1/20 0.34
NSD2 O96028 1/20 0.34
FPR1 P21462 1/20 0.34
FPR2 P25090 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
SCHEMBL3078553 1.00 CNR1 (0.41) CNR1CNR2POLBKMT2APKM
SCHEMBL3103813 0.93 KMT2A (0.42) POLBKMT2APKMHTTUSP30
SCHEMBL3103817 0.93 KMT2A (0.42) POLBKMT2APKMHTTUSP30
SCHEMBL3086124 0.91 CNR1 (0.43) CNR1CNR2POLBKMT2APKM
SCHEMBL3086128 0.91 CNR1 (0.43) CNR1CNR2POLBKMT2APKM
SCHEMBL3093154 0.85 OPRM1 (0.40) POLBKMT2APKMHTTNOS3
SCHEMBL3093147 0.85 OPRM1 (0.40) POLBKMT2APKMHTTNOS3
SCHEMBL3086206 0.85 KMT2A (0.40) CNR1CNR2POLBKMT2APKM
SCHEMBL3086210 0.85 KMT2A (0.40) CNR1CNR2POLBKMT2APKM
SCHEMBL3097201 0.84 KMT2A (0.39) POLBKMT2APKMHTTMEN1

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 907/4885POLB 4626/4885

“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.