SCHEMBL3097269

SCHEMBL3097269

CC(C)N(C(=O)C(Cc1cccc(C(F)(F)F)c1)C(=O)O)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.47
HTR2B P41595 3/20 0.47
HTR2C P28335 2/20 0.47
MDM2 Q00987 1/20 0.46
CYP3A4 P08684 3/20 0.45
USP2 O75604 2/20 0.45
ADRA2C P18825 2/20 0.45
SLC6A4 P31645 2/20 0.45
ADRA1A P35348 2/20 0.45
DRD3 P35462 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
NR1I2 O75469 1/20 0.45
ADRB1 P08588 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
ADRA2B P18089 1/20 0.45
CHRM3 P20309 1/20 0.45
SLC6A2 P23975 1/20 0.45

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
SCHEMBL3099820 0.87 SLC1A1 (0.47) MDM2PPARGPPARAMLYCD
SCHEMBL3091586 0.82 CYP3A4 (0.40) HTR2AHTR2BHTR2CMDM2CYP3A4
SCHEMBL3091579 0.82 CYP3A4 (0.40) HTR2AHTR2BHTR2CMDM2CYP3A4
SCHEMBL3085443 0.81 PPARG (0.49) HTR2AHTR2BHTR2CCYP3A4USP2
SCHEMBL3470487 0.78 HTR2A (0.60) HTR2AHTR2BHTR2CMDM2CYP3A4
SCHEMBL31273982 0.78 HTR2A (0.60) HTR2AHTR2BHTR2CMDM2CYP3A4
SCHEMBL7612638 0.75 HTR2A (0.66) HTR2AHTR2BHTR2CCYP3A4USP2
SCHEMBL3093723 0.74 MEN1 (0.37) HTR2AHTR2BHTR2CCYP3A4USP2
SCHEMBL3100516 0.73 CTSL (0.39) LMNAMAPTMLYCDTP53TSHR
SCHEMBL3092037 0.73 ALDH1A1 (0.40) LMNAMLYCDTP53

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 7 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
CN-101784520-A Novel malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2010-07-21 CN 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 HTR2A 3166/4885HTR2B 3676/4885HTR2C 4077/4885

“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.