SCHEMBL3097535

SCHEMBL3097535

CC1(C)OC(=O)C(CCc2ccc(Br)cc2)C(=O)O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MDM2 Q00987 1/20 0.43
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TAAR1 Q96RJ0 3/20 0.37
HSD11B1 P28845 1/20 0.36
HTR2A P28223 1/20 0.36
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CTDSP1 Q9GZU7 1/20 0.33
MAOB P27338 2/20 0.33
MAOA P21397 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL15570301 0.83 GLA (0.67) GLANPSR1MDM2LMNAALDH1A1
SCHEMBL3092334 0.82 TAAR1 (0.43) GLANPSR1MDM2ALDH1A1TAAR1
SCHEMBL3080438 0.81 NPSR1 (0.73) GLANPSR1TAAR1SMN1; SMN2MAOB
SCHEMBL8247259 0.80 TSHR (0.46) GLANPSR1MAOAKMT2A
SCHEMBL3092797 0.76 GLA (0.47) GLANPSR1HTR2APDPK1
SCHEMBL10296117 0.74 PLA2G6 (0.44) GLANPSR1L3MBTL1TAAR1GAA
SCHEMBL9110736 0.72 HTR2A (0.51) HTR2A
SCHEMBL31048329 0.72 BACE1 (0.40) GLANPSR1MDM2LMNAALDH1A1
SCHEMBL4262330 0.72 GSK3B (0.43) GLANPSR1MDM2LMNAALDH1A1
SCHEMBL3703876 0.71 ALDH1A1 (0.41) GLANPSR1MDM2LMNAALDH1A1

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 GLA 1615/4885NPSR1 879/4885MDM2 1327/4885

“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.