SCHEMBL476325

SCHEMBL476325

CN(Cc1cc(S(=O)(=O)c2ccc(F)cc2)n(-c2cccnc2F)n1)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.42
SLC6A4 P31645 8/20 0.42
HTR2A P28223 2/20 0.42
HTR6 P50406 2/20 0.36
COMT P21964 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.33
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RORC P51449 4/20 0.32
KMT2A Q03164 1/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR7 P34969 1/20 0.32

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
SCHEMBL3700738 0.94 HTR2C (0.44) HTR2CSLC6A4HTR2AHTR6PTGDR2
SCHEMBL3807718 0.91 HTR2C (0.41) HTR2CSLC6A4HTR2AHTR6HTR1A
SCHEMBL476414 0.89 HTR2C (0.39) HTR2CSLC6A4HTR2AHTR6RORC
SCHEMBL3697997 0.88 HTR2C (0.41) HTR2CSLC6A4HTR2A
SCHEMBL476337 0.88 HTR2C (0.38) HTR2CSLC6A4HTR2AHTR6HTR7
SCHEMBL3705968 0.88 SLC16A3 (0.39) HTR2CSLC6A4HTR2APTGDR2
SCHEMBL476388 0.87 PKM (0.38) HTR6COMTPTGDR2MAPTKDM4E
SCHEMBL476394 0.86 HTR2C (0.37) HTR2CSLC6A4HTR2ARORC
SCHEMBL3697758 0.83 HTR2C (0.43) HTR2CSLC6A4HTR2APTGDR2
SCHEMBL3699024 0.83 HTR2C (0.46) HTR2CSLC6A4HTR2AHTR6PTGDR2

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
US-8895588-B2 Pyrazole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-25 US disclosed
US-8895588-B2 Pyrazole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-25 US disclosed
US-8895588-B2 Pyrazole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-25 US disclosed
US-20120095057-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
US-20120095057-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
US-20120095057-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
EP-2412713-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2012-02-01 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-20120095057-A1 PYRAZOLE COMPOUND CEL, HRH2, GIPR HTR2C 2241/4885SLC6A4 2943/4885HTR2A 3463/4885

“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.