SCHEMBL3084850

SCHEMBL3084850

CCC(CC)(C(N)=O)C(=O)NS(=O)(=O)c1ccc(CC(C)C)s1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.38
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.32
NLRP3 Q96P20 1/20 0.32
LOX P28300 2/20 0.32
EDNRB P24530 2/20 0.31
EDNRA P25101 2/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
AGTR2 P50052 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL30151961 0.78 ALDH1A1 (0.44) FBP1ALDH1A1HPGDL3MBTL1NLRP3
SCHEMBL3083514 0.77 ALDH1A1 (0.49) ALDH1A1HPGDKMT2APOLBSMN1; SMN2
SCHEMBL3097342 0.74 CYP2D6 (0.45) ALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL710939 0.71 L3MBTL1 (0.36) FBP1ALDH1A1HPGDL3MBTL1LOX
SCHEMBL3088414 0.69 ALDH1A1 (0.49) ALDH1A1POLBSMN1; SMN2
SCHEMBL3096712 0.68 CA2 (0.47) ALDH1A1HPGDLOX
SCHEMBL3080062 0.67 CA1 (0.45) FBP1ALDH1A1KMT2APOLB
SCHEMBL958695 0.66 FBP1 (0.68) FBP1
SCHEMBL3103556 0.66 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2
SCHEMBL956744 0.65 ALDH1A1 (0.41) ALDH1A1HPGDL3MBTL1LOX

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 4 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-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 FBP1 603/4885ALDH1A1 617/4885HPGD 1736/4885

“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.