SCHEMBL3096707

SCHEMBL3096707

CC1(C)OC(=O)C(CCc2cccc3ccccc23)C(=O)O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A2 Q05940 1/20 0.45
DAO P14920 1/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NQO2 P16083 1/20 0.41
MTNR1A P48039 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38

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
SCHEMBL22409642 0.92 ALDH1A1 (0.44) SLC18A2DAOSLC6A2SLC6A4ALDH1A1
SCHEMBL22409623 0.74 NQO2 (0.41) DAOSLC6A2SLC6A4ALDH1A1MAPT
SCHEMBL3092797 0.74 GLA (0.47) CYP1A2
SCHEMBL22409628 0.71 SMPD2 (0.41) MTNR1A
SCHEMBL22409631 0.71 SMPD2 (0.41) MTNR1A
SCHEMBL1314230 0.71 DAO (0.50) SLC18A2DAOSLC6A2SLC6A4ALDH1A1
SCHEMBL6692882 0.69 DAO (0.48) SLC18A2DAOSLC6A2SLC6A4ALDH1A1
SCHEMBL3092334 0.69 TAAR1 (0.43) ALDH1A1
SCHEMBL30069765 0.69 TDP1 (0.51) MAPTMEN1HPGDKMT2AGAA
SCHEMBL17761135 0.69 TDP1 (0.51) MAPTMEN1HPGDKMT2AGAA

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 SLC18A2 1605/4885DAO 1510/4885SLC6A2 652/4885

“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.