SCHEMBL3097342

SCHEMBL3097342

CCC(CC)(C(N)=O)C(=O)NS(=O)(=O)c1cccs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TP53 P04637 1/20 0.45
ALDH1A1 P00352 5/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
PTGER1 P34995 2/20 0.42
PTGER4 P35408 2/20 0.42
PTGER3 P43115 2/20 0.42
PTGER2 P43116 2/20 0.42
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42
F2 P00734 1/20 0.42

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
SCHEMBL731549 0.76 CYP2D6 (0.55) CYP2D6CYP2C9CYP2C19ALDH1A1PKM
SCHEMBL2200877 0.75 KMT2A (0.53) CYP2D6CYP2C9CYP2C19TP53ALDH1A1
SCHEMBL4660476 0.75 CYP2C9 (0.54) CYP2D6CYP2C9CYP2C19ALDH1A1PKM
Urea SCHEMBL8693555 0.75 CYP2D6 (0.53) CYP2D6CYP2C9CYP2C19ALDH1A1PKM
SCHEMBL3080062 0.74 CA1 (0.45) ALDH1A1KMT2APTGER4SLC1A3SLC1A2
SCHEMBL3084850 0.74 FBP1 (0.38) ALDH1A1KMT2ASMN1; SMN2HPGD
SCHEMBL3088414 0.73 ALDH1A1 (0.49) CYP2C9ALDH1A1PKMTSHRSMN1; SMN2
SCHEMBL3085861 0.73 MMP1 (0.47) KMT2ASMN1; SMN2SLC1A3SLC1A2SLC1A1
SCHEMBL14417207 0.73 CYP2D6 (0.55) CYP2D6CYP2C9CYP2C19TP53ALDH1A1
SCHEMBL28459125 0.71 CYP2C9 (0.55) CYP2D6CYP2C9CYP2C19ALDH1A1PKM

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 CYP2D6 563/4885CYP2C9 1196/4885CYP2C19 1899/4885

“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.