SCHEMBL3100123

SCHEMBL3100123

CC(C)N(C(=O)C(Cc1nnnn1-c1ccccc1)C(=O)O)c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.50
ALDH1A1 P00352 6/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PKM P14618 2/20 0.37
HTT P42858 1/20 0.37
NLRP3 Q96P20 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL3103725 0.90 HSD11B1 (0.45) HSD11B1ALDH1A1L3MBTL1MAPTTP53
SCHEMBL3085976 0.85 ALDH1A1 (0.36) HSD11B1ALDH1A1TP53LMNASMN1; SMN2
SCHEMBL3083509 0.84 HSD11B1 (0.40) HSD11B1ALDH1A1L3MBTL1TP53LMNA
SCHEMBL3083504 0.84 HSD11B1 (0.40) HSD11B1ALDH1A1L3MBTL1TP53LMNA
SCHEMBL3093131 0.83 ALDH1A1 (0.39) HSD11B1ALDH1A1PKM
SCHEMBL3103770 0.78 HSD11B1 (0.57) HSD11B1ALDH1A1L3MBTL1MAPTTP53
SCHEMBL3092959 0.78 HSD11B1 (0.47) HSD11B1ALDH1A1L3MBTL1MAPTTP53
SCHEMBL3090654 0.74 SLC5A1 (0.34) ALDH1A1MAPTLMNAHTT
SCHEMBL3099597 0.73 ALDH1A1 (0.37) ALDH1A1MAPTTP53LMNA
SCHEMBL3096046 0.73 KMT2A (0.36) KMT2APKMHTT

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 6 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
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 HSD11B1 413/4885ALDH1A1 617/4885L3MBTL1 4273/4885

“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.