SCHEMBL3088563

SCHEMBL3088563

CC(C)(C)NS(=O)(=O)CC(O)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 1/20 0.41
APLNR P35414 1/20 0.41
HSD11B1 P28845 1/20 0.38
ADRB3 P13945 2/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
USP30 Q70CQ3 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HTT P42858 2/20 0.35
MAPT P10636 1/20 0.35
PMP22 Q01453 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL6492619 0.81 NAMPT (0.38) ALDH1A1CYP3A4HSD11B1ADRB3ADRB2
SCHEMBL12487423 0.81 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9MAPK1KMT2A
SCHEMBL3085702 0.79 ALDH1A1 (0.39) ALDH1A1CYP3A4CYP2C9MAPK1ADRB3
SCHEMBL28748869 0.76 AOC3 (0.49) AOC3HSD11B1ADRB3ADRB2ADRB1
SCHEMBL28748842 0.76 AOC3 (0.49) AOC3HSD11B1ADRB3ADRB2ADRB1
SCHEMBL18246813 0.74 AOC3 (0.50) AOC3HSD11B1ADRB3KDM4EHDAC3
SCHEMBL3087768 0.74 ADRB3 (0.47) ADRB3ADRB2ADRB1
SCHEMBL24429451 0.71 KMT2A (0.49) ALDH1A1CYP3A4CYP2C9MAPK1KMT2A
SCHEMBL2293172 0.71 ADRB2 (0.56) CYP3A4CYP2C9ADRB3ADRB2ADRB1
SCHEMBL10484862 0.71 ADRB2 (0.56) CYP3A4CYP2C9ADRB3ADRB2ADRB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 AOC3 3383/4885ALDH1A1 617/4885CYP3A4 1945/4885

“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.