SCHEMBL3100781

SCHEMBL3100781

O=C1CC2(CCN(C(=O)C(Cc3ccc([N+](=O)[O-])cc3)C(=O)NS(=O)(=O)c3ccc4ccccc4c3)CC2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.43
MGLL Q99685 1/20 0.39
LARS1 Q9P2J5 1/20 0.36
BCL2 P10415 1/20 0.36
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
F10 P00742 1/20 0.36
P2RX7 Q99572 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
SCHEMBL3092358 0.90 F2 (0.43) F2LARS1PLGPLAUF10
SCHEMBL3095973 0.82 F2 (0.48) F2MGLLLARS1
SCHEMBL3090741 0.82 MMP8 (0.50) F2MGLLLARS1
SCHEMBL3089900 0.77 LARS1 (0.50) F2LARS1BCL2
SCHEMBL3084893 0.76 NPBWR1 (0.45) F2MGLLBCL2P2RX7
SCHEMBL3092672 0.74 PPARG (0.50) F2MGLLLARS1BCL2
SCHEMBL3090058 0.73 LARS1 (0.48) F2MGLLLARS1BCL2
SCHEMBL3085503 0.72 LARS1 (0.47) F2LARS1BCL2
SCHEMBL3085318 0.72 LARS1 (0.50) F2LARS1BCL2
SCHEMBL14999938 0.72 LARS1 (0.47) F2LARS1BCL2

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 F2 4128/4885MGLL 1484/4885LARS1 1976/4885

“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.