SCHEMBL3085535

SCHEMBL3085535

CCN(C(=O)C(CC1CC1)C(=O)O)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.41
ATM Q13315 1/20 0.39
MLYCD O95822 1/20 0.39
ACHE P22303 1/20 0.39
CTSL P07711 1/20 0.39
PTGIR P43119 3/20 0.38
PTGDR Q13258 2/20 0.38
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
TSHR P16473 1/20 0.37
GPR88 Q9GZN0 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL3085522 0.86 MLYCD (0.40) OPRM1ATMMLYCDACHECTSL
SCHEMBL3085520 0.82 CTSL (0.40) OPRM1ATMACHECTSLPTGIR
SCHEMBL3093425 0.81 CTSL (0.41) OPRM1ACHECTSLPTGIRPTGDR
SCHEMBL3102909 0.78 KMT2A (0.39) OPRM1ATMPTGIRALDH1A1SMN1; SMN2
SCHEMBL3091855 0.74 ALDH1A1 (0.49) ALDH1A1GLATSHRTP53SMN1; SMN2
SCHEMBL27787087 0.72 MLYCD (0.41) OPRM1MLYCDPTGIRALDH1A1GLA
SCHEMBL3102700 0.71 CTSL (0.37) OPRM1CTSLPTGIRPTGDRALDH1A1
SCHEMBL14999972 0.71 ALDH1A1 (0.37) OPRM1ATMALDH1A1SMN1; SMN2
SCHEMBL8706715 0.69 TSHR (0.46) MLYCDALDH1A1GLATSHRTP53
SCHEMBL5045338 0.69 ALDH1A1 (0.47) MLYCDACHEALDH1A1GLATSHR

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 OPRM1 2431/4885ATM 3047/4885MLYCD 342/4885

“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.