SCHEMBL3093544

SCHEMBL3093544

CCN(C(=O)C(Cc1ccc(N)cc1)C(=O)NS(=O)(=O)CCc1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MMP8 P22894 4/20 0.37
MMP12 P39900 3/20 0.37
MMP13 P45452 3/20 0.37
MMP1 P03956 1/20 0.37
MMP7 P09237 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GLA P06280 1/20 0.36
TSHR P16473 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
PTPRB P23467 1/20 0.36
SOAT1 P35610 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL3103635 0.92 ALDH1A1 (0.39) ALDH1A1HPGDSMN1; SMN2MMP8MMP12
SCHEMBL3090054 0.92 ALDH1A1 (0.37) ALDH1A1HPGDSMN1; SMN2MMP8NPC1
SCHEMBL3099596 0.90 ALDH1A1 (0.37) ALDH1A1HPGDSMN1; SMN2MMP8NPC1
SCHEMBL3089122 0.89 LDHA (0.43) ALDH1A1SMN1; SMN2MMP8MMP12MMP13
SCHEMBL15000039 0.89 MMP8 (0.39) MMP8MMP12MMP13MMP1MMP7
SCHEMBL3092608 0.87 SIGMAR1 (0.41) MMP8MMP12MMP13MMP1NPC1
SCHEMBL3085050 0.82 KMT2A (0.43) ALDH1A1HPGDSMN1; SMN2MMP8MMP12
SCHEMBL3100420 0.82 POLB (0.41) ALDH1A1GLATSHRSOAT1MEN1
SCHEMBL3100426 0.82 POLB (0.41) ALDH1A1GLATSHRSOAT1MEN1
SCHEMBL15000164 0.81 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 ALDH1A1 617/4885HPGD 1736/4885SMN1; SMN2 2844/4885

“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.