SCHEMBL3100522

SCHEMBL3100522

CCCN(CCC)C(=O)C(Cc1ccc(NC(=O)c2ccccc2)cc1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA9 Q16790 1/20 0.45
LMNA P02545 1/20 0.44
GPR27 Q9NS67 1/20 0.44
LARS1 Q9P2J5 1/20 0.43
KAT6A Q92794 1/20 0.43
PPARA Q07869 1/20 0.43
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
F2 P00734 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
PRMT1 Q99873 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL3097708 0.94 CCKBR (0.43) MMP9CA12CA1CA9LMNA
SCHEMBL3093901 0.93 MMP9 (0.46) MMP9LMNAGPR27LARS1KAT6A
SCHEMBL3102970 0.93 MMP9 (0.46) MMP9LMNAGPR27LARS1KAT6A
SCHEMBL3103341 0.89 MMP9 (0.48) MMP9LMNAGPR27LARS1KAT6A
SCHEMBL3092113 0.89 MMP9 (0.46) MMP9LMNAGPR27LARS1KAT6A
SCHEMBL3090460 0.88 MMP9 (0.49) MMP9LMNAGPR27LARS1KAT6A
SCHEMBL3090792 0.87 NPC1 (0.51) MMP9LMNAGPR27LARS1KAT6A
SCHEMBL3092998 0.87 NPC1 (0.51) MMP9LMNAGPR27LARS1KAT6A
SCHEMBL3100986 0.87 MMP9 (0.44) MMP9LMNAGPR27LARS1KAT6A
SCHEMBL3093022 0.87 MMP9 (0.55) MMP9CA12CA1CA9LMNA

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 MMP9 1227/4885CA12 750/4885CA1 1013/4885

“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.