SCHEMBL3092334

SCHEMBL3092334

CC1(C)OC(=O)C(CCc2cccc(Br)c2)C(=O)O1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.43
GLA P06280 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MDM2 Q00987 1/20 0.40
MAOB P27338 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
BACE1 P56817 1/20 0.38
GPR84 Q9NQS5 1/20 0.36
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
IDO1 P14902 1/20 0.35
AGXT P21549 1/20 0.35

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
SCHEMBL3097535 0.82 GLA (0.48) TAAR1GLANPSR1MDM2MAOB
SCHEMBL3092797 0.77 GLA (0.47) GLANPSR1BACE1
SCHEMBL10296117 0.73 PLA2G6 (0.44) TAAR1GLANPSR1
SCHEMBL3080438 0.71 NPSR1 (0.73) TAAR1GLANPSR1MAOB
SCHEMBL9110736 0.70 HTR2A (0.51) GPR84IDO1
SCHEMBL8247259 0.70 TSHR (0.46) GLANPSR1CA12CA9IDO1
SCHEMBL15570301 0.69 GLA (0.67) GLANPSR1MDM2MAOBALDH1A1
SCHEMBL3096707 0.69 SLC18A2 (0.45) ALDH1A1
SCHEMBL7417047 0.68 GLA (0.66) GLANPSR1MDM2HTT
SCHEMBL4399626 0.68 TAAR1 (0.74) TAAR1MAOBBACE1IDO1AGXT

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 TAAR1 1246/4885GLA 1615/4885NPSR1 879/4885

“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.