SCHEMBL3089339

SCHEMBL3089339

CCOC(=O)C(CC(=O)N1CCc2ccccc2C1)C(=O)N(CC)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
NLRP3 Q96P20 1/20 0.52
ALOX5 P09917 1/20 0.48
KDM4E B2RXH2 2/20 0.47
DPP8 Q6V1X1 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
TAAR1 Q96RJ0 2/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
BCL2 P10415 1/20 0.47
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45
NOTUM Q6P988 1/20 0.45
OXTR P30559 2/20 0.45
AVPR1A P37288 2/20 0.45
TP53 P04637 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
SCHEMBL3096572 0.91 MEN1 (0.57) MEN1KMT2ANLRP3ALOX5KDM4E
SCHEMBL3079642 0.78 MEN1 (0.43) MEN1KMT2ANLRP3ALOX5KDM4E
SCHEMBL3079645 0.78 MEN1 (0.43) MEN1KMT2ANLRP3ALOX5KDM4E
SCHEMBL3103829 0.76 DPP8 (0.68) MEN1KMT2ANLRP3KDM4EDPP8
SCHEMBL3097200 0.74 MAPT (0.56) MEN1KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL3097501 0.72 PARP1 (0.51) KDM4EALDH1A1SMN1; SMN2LMNARAB9A
SCHEMBL16268868 0.72 ALDH1A1 (0.64) MEN1KMT2AKDM4ETAAR1ALDH1A1
SCHEMBL8244656 0.71 DPP8 (0.68) MEN1KMT2ANLRP3KDM4EDPP8
SCHEMBL9157158 0.70 MEN1 (0.65) MEN1KMT2ANLRP3ALOX5KDM4E
SCHEMBL9138110 0.70 DPP8 (0.66) 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 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 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.