SCHEMBL3085702

SCHEMBL3085702

CC(C)(C)NS(=O)(=O)CC(c1ccc(F)cc1)S(N)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
USP30 Q70CQ3 5/20 0.34
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 2/20 0.33
CA12 O43570 1/20 0.33
EPHX2 P34913 2/20 0.33
ADRB3 P13945 2/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MAOA P21397 1/20 0.32
NSD2 O96028 1/20 0.31
PTGES2 Q9H7Z7 1/20 0.31

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
SCHEMBL12487423 0.82 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9MAPK1USP30
SCHEMBL3096901 0.79 IDO1 (0.38) CA1CA2CA9CA12EPHX2
SCHEMBL3088563 0.79 AOC3 (0.41) ALDH1A1CYP3A4CYP2C9MAPK1USP30
SCHEMBL3092316 0.75 ALDH1A1 (0.39) ALDH1A1ADRB3SMN1; SMN2
SCHEMBL31150400 0.74 CA1 (0.39) CA1CA2CA9CA12
SCHEMBL24429451 0.69 KMT2A (0.49) ALDH1A1CYP3A4CYP2C9MAPK1USP30
SCHEMBL12488402 0.68 HSD11B1 (0.50) ALDH1A1CYP3A4CYP2C9MAPK1USP30
SCHEMBL3470343 0.68 MAPKAPK2 (0.32)
SCHEMBL29062399 0.67 ALDH1A1 (0.41) ALDH1A1CYP3A4CYP2C9MAPK1CA1
SCHEMBL4769301 0.64 APLNR (0.41) ALDH1A1CA1CA2CA9CA12

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 ALDH1A1 617/4885CYP3A4 1945/4885CYP2C9 1196/4885

“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.