SCHEMBL3084776

SCHEMBL3084776

CC(C)CC(C(=O)NS(=O)(=O)CCc1nccs1)C(=O)N(c1ccc(F)cc1)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.35
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NAMPT P43490 2/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSPA5 P11021 1/20 0.32
HSPA2 P54652 1/20 0.32
GCK P35557 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL3079996 0.81 NLRP3 (0.40) FFAR2NPC1TP53HPGDALOX15
SCHEMBL3079999 0.81 NLRP3 (0.40) FFAR2NPC1TP53HPGDALOX15
SCHEMBL3088478 0.81 MMP8 (0.39) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3093384 0.77 MEN1 (0.38) HPGDSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL3100742 0.77 MMP8 (0.41) NPC1HPGDRAB9AALDH1A1KMT2A
SCHEMBL3096868 0.73 NOS3 (0.41) HPGDMEN1KMT2A
SCHEMBL3096862 0.73 NOS3 (0.41) HPGDMEN1KMT2A
SCHEMBL3101143 0.72 LARS1 (0.53) TDP1
SCHEMBL3093403 0.71 KMT2A (0.43) SMN1; SMN2ALDH1A1MEN1KMT2AGAA
SCHEMBL3093391 0.71 KMT2A (0.43) SMN1; SMN2ALDH1A1MEN1KMT2AGAA

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 FFAR2 49/4885NPC1 3306/4885TP53 3377/4885

“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.