SCHEMBL3092797

SCHEMBL3092797

CC1(C)OC(=O)C(CCc2ccc3ccccc3c2)C(=O)O1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP1A2 P05177 2/20 0.41
CYP2A6 P11509 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
BACE1 P56817 1/20 0.39
PDPK1 O15530 1/20 0.38
FAAH O00519 1/20 0.38
HRH3 Q9Y5N1 3/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
CTRC Q99895 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
SCHEMBL3092334 0.77 TAAR1 (0.43) GLANPSR1BACE1
SCHEMBL3080438 0.77 NPSR1 (0.73) GLANPSR1
SCHEMBL3097535 0.76 GLA (0.48) GLANPSR1PDPK1HTR2A
SCHEMBL3096707 0.74 SLC18A2 (0.45) CYP1A2
SCHEMBL8247259 0.72 TSHR (0.46) GLANPSR1CYP1A2HRH3
SCHEMBL15599122 0.70 TSHR (0.46) CYP1A2SIGMAR1HRH3
SCHEMBL24294261 0.69 SOX18 (0.44) CYP1A2CYP2A6SIGMAR1BACE1PDPK1
SCHEMBL22409642 0.69 ALDH1A1 (0.44) SIGMAR1
SCHEMBL7417047 0.68 GLA (0.66) GLANPSR1
SCHEMBL6240981 0.68 CYP1A2 (0.65) CYP1A2CYP2A6SIGMAR1HRH3HTR2A

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 879/4885CYP1A2 1772/4885

“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.