SCHEMBL3093178

SCHEMBL3093178

CC1(C)OC(=O)C(Cc2ccc(C#Cc3ccccc3)cc2)C(=O)O1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
FFAR1 O14842 6/20 0.43
FFAR4 Q5NUL3 2/20 0.43
MDM2 Q00987 1/20 0.40
GRM5 P41594 10/20 0.39
ABCB1 P08183 1/20 0.37
CHRM2 P08172 1/20 0.36
S1PR1 P21453 1/20 0.36
FPR1 P21462 1/20 0.36
FPR3 P25089 1/20 0.36
GPR183 P32249 1/20 0.36
APLNR P35414 1/20 0.36
GPR65 Q8IYL9 1/20 0.36
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL7417047 0.86 GLA (0.66) GLANPSR1MDM2HTT
SCHEMBL6445465 0.82 GLA (0.61) GLANPSR1MDM2ABCB1
SCHEMBL3103917 0.79 GLA (0.66) GLANPSR1FFAR1FFAR4
SCHEMBL9193771 0.78 GLA (0.69) GLANPSR1MDM2RAB9A
SCHEMBL15570301 0.76 GLA (0.67) GLANPSR1FFAR1MDM2NPC1
SCHEMBL15647719 0.76 GLA (0.67) GLANPSR1MDM2
SCHEMBL16460894 0.76 GLA (0.67) GLANPSR1MDM2
SCHEMBL16374867 0.75 GLA (0.73) GLANPSR1NPC1HTTRAB9A
SCHEMBL6811281 0.74 GLA (0.49) GLANPSR1FFAR1FFAR4MDM2
SCHEMBL15569868 0.74 NPSR1 (1.00) GLANPSR1SMN1; SMN2

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 879/4885FFAR1 78/4885

“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.