SCHEMBL3093154

SCHEMBL3093154

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
KMT2A Q03164 3/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.38
POLB P06746 1/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
NR1H4 Q96RI1 4/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.34
SCN9A Q15858 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
SCHEMBL3093147 1.00 OPRM1 (0.40) OPRM1OPRL1KMT2APKMHTT
SCHEMBL3097177 0.92 CTSV (0.37) OPRM1OPRL1KMT2APKMHTT
SCHEMBL3097186 0.92 CTSV (0.37) OPRM1OPRL1KMT2APKMHTT
SCHEMBL3103813 0.92 KMT2A (0.42) KMT2APKMHTTPOLBNOS3
SCHEMBL3103817 0.92 KMT2A (0.42) KMT2APKMHTTPOLBNOS3
SCHEMBL3091586 0.91 CYP3A4 (0.40) OPRM1KMT2APKMNR1H4
SCHEMBL3091579 0.91 CYP3A4 (0.40) OPRM1KMT2APKMNR1H4
SCHEMBL3086124 0.90 CNR1 (0.43) OPRM1OPRL1KMT2APKMHTT
SCHEMBL3086128 0.90 CNR1 (0.43) OPRM1OPRL1KMT2APKMHTT
SCHEMBL3078557 0.85 CNR1 (0.41) KMT2APKMHTTPOLBNOS3

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 OPRM1 2431/4885OPRL1 2040/4885KMT2A 1948/4885

“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.