SCHEMBL3088655

SCHEMBL3088655

CCN(CC)C(=O)C(Cc1ccc(NC(=O)c2nccnc2N)cc1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
VCP P55072 2/20 0.43
LARS1 Q9P2J5 1/20 0.42
ATR Q13535 5/20 0.41
F2 P00734 2/20 0.41
PRKCI P41743 6/20 0.39
ATM Q13315 3/20 0.38
PRKDC P78527 2/20 0.38
PLG P00747 1/20 0.37

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
SCHEMBL3097370 0.87 NPC1 (0.51) LARS1
Hydrochloric Acid SCHEMBL3101058 0.86 NPC1 (0.50) LARS1
SCHEMBL3096098 0.86 LARS1 (0.45) LARS1F2PLG
SCHEMBL3096503 0.86 LARS1 (0.45) LARS1F2PLG
SCHEMBL3097672 0.86 RAB9A (0.53) LARS1
SCHEMBL3093732 0.85 LARS1 (0.44) LARS1F2PLG
SCHEMBL3102970 0.85 MMP9 (0.46) LARS1F2PLG
SCHEMBL3093901 0.85 MMP9 (0.46) LARS1F2PLG
Hydrochloric Acid SCHEMBL3089133 0.85 SMN1; SMN2 (0.45) LARS1F2
SCHEMBL3079484 0.84 NPC1 (0.46) LARS1F2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 VCP 905/4885LARS1 1976/4885ATR 2079/4885

“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.