SCHEMBL3085357

SCHEMBL3085357

CCn1cc(CC(C(=O)O)C(=O)N(c2ccc(F)cc2)C(C)C)cn1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 3/20 0.35
CYP2C19 P33261 1/20 0.35
GFER P55789 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.34
JAK3 P52333 2/20 0.34
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
GAA P10253 1/20 0.33
NR1H2 P55055 1/20 0.33
S1PR1 P21453 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL3093241 0.86 ACHE (0.35) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL3100104 0.82 MAPT (0.35) MAPTTDP1LMNAPOLBALDH1A1
SCHEMBL3100096 0.82 MAPT (0.35) MAPTTDP1LMNAPOLBALDH1A1
SCHEMBL3470417 0.77 TSHR (0.44) MAPTLMNACYP2C19GFERNPSR1
SCHEMBL27787135 0.76 MAPT (0.40) MAPTTDP1LMNACYP2C19GFER
SCHEMBL3103910 0.76 LMNA (0.45) MAPTLMNAALDH1A1MAPK1HTT
SCHEMBL3093117 0.75 ALDH1A1 (0.42) MAPTLMNACYP2C19GFERNPSR1
SCHEMBL3099820 0.75 SLC1A1 (0.47) KMT2AMEN1
SCHEMBL3093131 0.74 ALDH1A1 (0.39) ALDH1A1GAA
SCHEMBL3103633 0.74 LMNA (0.46) MAPTLMNAALDH1A1TSHRMAPK1

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 6 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
CN-101784520-B Novel malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2014-07-02 CN 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 MAPT 2813/4885TDP1 4770/4885LMNA 3803/4885

“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.