SCHEMBL3085050

SCHEMBL3085050

CCN(C(=O)C(Cc1ccccc1-c1ccccc1)C(=O)NS(=O)(=O)CCc1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
PTGER1 P34995 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PPARA Q07869 4/20 0.37
LTB4R2 Q9NPC1 3/20 0.37
PPARG P37231 1/20 0.36
MMP8 P22894 2/20 0.35
MMP12 P39900 2/20 0.35
MMP13 P45452 2/20 0.35
TSHR P16473 2/20 0.34
GLA P06280 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
SCHEMBL3093544 0.82 ALDH1A1 (0.39) KMT2AALDH1A1HPGDSMN1; SMN2MMP8
SCHEMBL3103441 0.82 KMT2A (0.42) KMT2AMMEACECPA1ACE2
SCHEMBL3089122 0.82 LDHA (0.43) KMT2AALDH1A1SMN1; SMN2MMP8MMP12
SCHEMBL3092608 0.81 SIGMAR1 (0.41) KMT2AMMP8MMP12MMP13MMP1
SCHEMBL3103635 0.80 ALDH1A1 (0.39) KMT2AALDH1A1HPGDSMN1; SMN2MMP8
SCHEMBL3093355 0.79 LARS1 (0.45) KMT2AMMEACECPA1ACE2
SCHEMBL3090054 0.74 ALDH1A1 (0.37) KMT2AALDH1A1HPGDSMN1; SMN2LTB4R2
SCHEMBL3099596 0.72 ALDH1A1 (0.37) KMT2AALDH1A1HPGDSMN1; SMN2MMP8
SCHEMBL3097037 0.71 ALDH1A1 (0.46) KMT2AALDH1A1SMN1; SMN2
SCHEMBL15000039 0.71 MMP8 (0.39) MMP8MMP12MMP13MMP1MMP7

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 KMT2A 1948/4885PTGER1 1351/4885PTGER4 2136/4885

“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.