SCHEMBL3090309

SCHEMBL3090309

CC(C)CC(C(=O)NS(=O)(=O)/C=C/c1cccnc1)C(=O)N(c1ccc(F)cc1)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 10/20 0.39
NFE2L2 Q16236 2/20 0.37
SCN9A Q15858 1/20 0.36
POLB P06746 1/20 0.36
PTGS2 P35354 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL3090313 1.00 NAMPT (0.39) NAMPTNFE2L2SCN9APOLBPTGS2
SCHEMBL3093391 0.89 KMT2A (0.43) SCN9APOLBALDH1A1
SCHEMBL3093403 0.89 KMT2A (0.43) SCN9APOLBALDH1A1
SCHEMBL3096862 0.88 NOS3 (0.41)
SCHEMBL3096868 0.88 NOS3 (0.41)
Hydrochloric Acid SCHEMBL3088702 0.85 HTT (0.39) POLBPTGS2RAB9ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL3088705 0.85 HTT (0.39) POLBPTGS2RAB9ANPC1ALDH1A1
SCHEMBL3097602 0.82 KCNA5 (0.38) NAMPTPOLBPTGS2
SCHEMBL3097616 0.82 KCNA5 (0.38) NAMPTPOLBPTGS2
SCHEMBL3092120 0.81 KMT2A (0.42) SCN9APOLBALDH1A1

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 NAMPT 2385/4885NFE2L2 1475/4885SCN9A 1251/4885

“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.