SCHEMBL3097443

SCHEMBL3097443

O=C(O)C(Cc1cnn(Cc2ccccc2F)c1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
MAPT P10636 1/20 0.55
PKM P14618 1/20 0.55
SCD5 Q86SK9 3/20 0.49
SCD O00767 2/20 0.49
KLKB1 P03952 1/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
KDM4A O75164 1/20 0.40
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
HDAC1 Q13547 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
SCHEMBL3089258 0.88 L3MBTL1 (0.45) ALDH1A1L3MBTL1MAPTPKMSCD5
SCHEMBL3469641 0.85 KLKB1 (0.44) ALDH1A1L3MBTL1MAPTPKMSCD5
SCHEMBL3469954 0.84 ATM (0.46) ALDH1A1L3MBTL1MAPTSCD5KLKB1
SCHEMBL3471108 0.83 L3MBTL1 (0.53) ALDH1A1L3MBTL1MAPTSCD5SCD
SCHEMBL3085251 0.80 ALDH1A1 (0.63) ALDH1A1L3MBTL1MAPTPKMSCD5
SCHEMBL3470348 0.80 TGM2 (0.47) ALDH1A1LMNAKDM4AKDM4E
SCHEMBL3469650 0.80 LMNA (0.53) ALDH1A1MAPTSCD5LMNARAB9A
SCHEMBL3087842 0.80 ALDH1A1 (0.42) ALDH1A1L3MBTL1MAPTPKMSCD5
SCHEMBL15155184 0.78 L3MBTL1 (0.64) ALDH1A1L3MBTL1MAPTPKMSCD5
SCHEMBL3091005 0.77 ALDH1A1 (0.63) ALDH1A1L3MBTL1MAPTPKMSCD5

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 617/4885L3MBTL1 4273/4885MAPT 2813/4885

“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.