SCHEMBL3085033

SCHEMBL3085033

CCN(C(=O)C(CCc1cccc2ccccc12)C(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
TSHR P16473 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CDYL Q9Y232 1/20 0.44
METAP2 P50579 2/20 0.43
CTNNB1 P35222 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 1/20 0.42
MTNR1A P48039 2/20 0.41
METAP1 P53582 1/20 0.41
TP53 P04637 1/20 0.40
ADA P00813 2/20 0.40
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39

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
SCHEMBL3096123 0.81 LARS1 (0.45) ALDH1A1KMT2AMTNR1A
SCHEMBL3101037 0.81 GAA (0.37) ALDH1A1TSHRKDM4ECDYLMETAP2
SCHEMBL3101041 0.81 GAA (0.37) ALDH1A1TSHRKDM4ECDYLMETAP2
SCHEMBL3103221 0.80 CYP1A2 (0.45) ALDH1A1GLATSHRMMEACE
SCHEMBL3079427 0.77 TSHR (0.46) ALDH1A1GLATSHRKMT2ATP53
SCHEMBL3093099 0.77 CHRM2 (0.43) ALDH1A1GLATSHRKDM4EKMT2A
SCHEMBL3079647 0.75 ALDH1A1 (0.48) ALDH1A1GLATSHRKMT2A
SCHEMBL7821394 0.74 KMT2A (0.53) ALDH1A1KDM4EMETAP2CTNNB1TDP1
SCHEMBL8890206 0.73 TDP1 (0.56) CTNNB1TDP1KMT2AMTNR1ASLC1A3
SCHEMBL27787119 0.73 CYP4F2 (0.49) MMEACECPA1ACE2

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 7 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
CN-101784520-B Novel malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2014-07-02 CN 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
CN-101784520-A Novel malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2010-07-21 CN 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 617/4885GLA 1615/4885TSHR 678/4885

“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.