SCHEMBL3089259

SCHEMBL3089259

CN1CCN(C(=O)C(Cc2ccc(NC(=O)c3ccccc3)cc2)C(=O)NS(=O)(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PLG P00747 6/20 0.45
F2 P00734 2/20 0.44
MMP9 P14780 1/20 0.44
F10 P00742 2/20 0.44
F12 P00748 1/20 0.44
PLAU P00749 1/20 0.44
KLKB1 P03952 1/20 0.44
PROC P04070 1/20 0.44
HPN P05981 1/20 0.44

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
SCHEMBL3101110 0.92 F10 (0.50) NPC1RAB9ASMN1; SMN2PLGF2
SCHEMBL3096727 0.91 F10 (0.51) PLGF2MMP9F10PLAU
SCHEMBL3096410 0.90 MMP8 (0.51) NPC1RAB9AALDH1A1SMN1; SMN2PLG
SCHEMBL3090754 0.87 F2 (0.49) PLGF2F10F12PLAU
SCHEMBL3093022 0.86 MMP9 (0.55) NPC1RAB9AMMP9
SCHEMBL3095973 0.84 F2 (0.48) F2
SCHEMBL3103341 0.83 MMP9 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2F2
SCHEMBL3090460 0.82 MMP9 (0.49) NPC1RAB9AF2MMP9
SCHEMBL3102701 0.82 AR (0.49) NPC1RAB9AALDH1A1SMN1; SMN2F2
SCHEMBL3100522 0.82 MMP9 (0.45) F2MMP9

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 NPC1 3306/4885RAB9A 826/4885ALDH1A1 617/4885

“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.