SCHEMBL3097173

SCHEMBL3097173

CC(C)CC(C(=O)NS(=O)(=O)/C=C/c1ccccc1)C(=O)N(c1cccc(C(F)(F)F)c1)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.40
MAOB P27338 1/20 0.39
NR1H4 Q96RI1 3/20 0.39
HTT P42858 1/20 0.38
PTGES2 Q9H7Z7 3/20 0.38
CTSL P07711 1/20 0.38
TP53 P04637 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RORC P51449 1/20 0.35

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
SCHEMBL3097180 1.00 ADAM17 (0.40) ADAM17MAOBNR1H4HTTPTGES2
SCHEMBL3096437 0.90 MAOB (0.39) MAOBNR1H4HTTPTGES2MEN1
SCHEMBL3096433 0.90 MAOB (0.39) MAOBNR1H4HTTPTGES2MEN1
SCHEMBL3091874 0.87 NR1H4 (0.40) MAOBNR1H4HTTPTGES2MEN1
SCHEMBL3091863 0.87 NR1H4 (0.40) MAOBNR1H4HTTPTGES2MEN1
SCHEMBL3085778 0.85 HTT (0.39) ADAM17NR1H4HTTPOLB
SCHEMBL3085777 0.85 HTT (0.39) ADAM17NR1H4HTTPOLB
SCHEMBL3093391 0.83 KMT2A (0.43) ADAM17HTTMEN1KMT2AALDH1A1
SCHEMBL3093403 0.83 KMT2A (0.43) ADAM17HTTMEN1KMT2AALDH1A1
SCHEMBL3089280 0.83 NR1H4 (0.35) ADAM17MAOBNR1H4HTTPTGES2

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 ADAM17 1435/4885MAOB 3876/4885NR1H4 211/4885

“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.