SCHEMBL3096572

SCHEMBL3096572

CCN(C(=O)C(CC(=O)N1CCc2ccccc2C1)C(=O)O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
NLRP3 Q96P20 1/20 0.57
KDM4E B2RXH2 2/20 0.52
DPP8 Q6V1X1 1/20 0.52
DPP7 Q9UHL4 1/20 0.52
POLB P06746 2/20 0.51
TAAR1 Q96RJ0 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
BCL2 P10415 1/20 0.48
ALOX5 P09917 1/20 0.47
OXTR P30559 1/20 0.46
AVPR1A P37288 1/20 0.46
NOTUM Q6P988 2/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HDAC3 O15379 1/20 0.44

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
SCHEMBL3089339 0.91 MEN1 (0.52) MEN1KMT2ANLRP3KDM4EDPP8
SCHEMBL3103829 0.83 DPP8 (0.68) MEN1KMT2ANLRP3KDM4EDPP8
SCHEMBL3079642 0.82 MEN1 (0.43) MEN1KMT2ANLRP3KDM4EDPP8
SCHEMBL3079645 0.82 MEN1 (0.43) MEN1KMT2ANLRP3KDM4EDPP8
SCHEMBL8244656 0.75 DPP8 (0.68) MEN1KMT2ANLRP3KDM4EDPP8
SCHEMBL9138110 0.73 DPP8 (0.66) MEN1KMT2ANLRP3KDM4EDPP8
SCHEMBL303340 0.73 NOTUM (0.67) MEN1KMT2ANLRP3KDM4EDPP8
SCHEMBL13487186 0.73 NOTUM (0.67) MEN1KMT2ANLRP3KDM4EDPP8
SCHEMBL5870531 0.72 DPP8 (0.57) MEN1KMT2ANLRP3KDM4EDPP8
SCHEMBL5870235 0.72 DPP8 (0.57) MEN1KMT2ANLRP3KDM4EDPP8

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 MEN1 2509/4885KMT2A 1948/4885NLRP3 1883/4885

“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.