SCHEMBL3103725

SCHEMBL3103725

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.45
ALDH1A1 P00352 6/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 2/20 0.38
SLC5A1 P13866 2/20 0.38
SLC5A2 P31639 2/20 0.38
ALOX12 P18054 1/20 0.38
MAPT P10636 2/20 0.37
TSHR P16473 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL3100123 0.90 HSD11B1 (0.50) HSD11B1ALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL3090654 0.85 SLC5A1 (0.34) ALDH1A1SLC5A1SLC5A2MAPTTSHR
SCHEMBL3099597 0.85 ALDH1A1 (0.37) ALDH1A1TP53SLC5A1SLC5A2MAPT
SCHEMBL3080055 0.81 ALDH1A1 (0.46) HSD11B1ALDH1A1SMN1; SMN2TP53SLC5A1
SCHEMBL3083504 0.80 HSD11B1 (0.40) HSD11B1ALDH1A1SMN1; SMN2TP53NPC1
SCHEMBL3083509 0.80 HSD11B1 (0.40) HSD11B1ALDH1A1SMN1; SMN2TP53NPC1
SCHEMBL3093131 0.76 ALDH1A1 (0.39) HSD11B1ALDH1A1
SCHEMBL3085976 0.76 ALDH1A1 (0.36) HSD11B1ALDH1A1SMN1; SMN2TP53LMNA
SCHEMBL3092292 0.73 MAPT (0.38) ALDH1A1SMN1; SMN2TP53ALOX12MAPT
SCHEMBL10727802 0.71 ALDH1A1 (0.48) HSD11B1ALDH1A1SMN1; SMN2TP53ALOX12

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 617/4885SMN1; SMN2 2844/4885

“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.