SCHEMBL3097331

SCHEMBL3097331

C=CCC(C(=O)NS(=O)(=O)/C=C/c1ccccc1)C(=O)N(C)Cc1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 9/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 2/20 0.42
NR1I2 O75469 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA2C P18825 1/20 0.42
CNR1 P21554 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRK1 P41145 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
EBP Q15125 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 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
SCHEMBL3097338 1.00 METAP2 (0.43) METAP2MEN1KMT2AHTTNR1I2
SCHEMBL3103211 0.85 HTT (0.38) KMT2AHTTSIGMAR1ALDH1A1POLB
SCHEMBL3103225 0.85 HTT (0.38) KMT2AHTTSIGMAR1ALDH1A1POLB
SCHEMBL3092691 0.82 HTT (0.41) MEN1KMT2AHTTLMNAKDM4E
SCHEMBL3092698 0.82 HTT (0.41) MEN1KMT2AHTTLMNAKDM4E
SCHEMBL3092770 0.81 ALDH1A1 (0.44) MEN1KMT2AHTTSIGMAR1LMNA
SCHEMBL3092781 0.81 ALDH1A1 (0.44) MEN1KMT2AHTTSIGMAR1LMNA
SCHEMBL3097776 0.79 HTT (0.43) MEN1KMT2AHTTLMNAL3MBTL1
SCHEMBL3097783 0.79 HTT (0.43) MEN1KMT2AHTTLMNAL3MBTL1
SCHEMBL3089225 0.78 HTT (0.51) MEN1KMT2AHTTLMNACYP2C19

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 METAP2 566/4885MEN1 2509/4885KMT2A 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.