SCHEMBL476271

SCHEMBL476271

CNCc1cc(S(=O)(=O)c2ccc(F)cc2)n(-c2cccnc2F)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.40
KCNH2 Q12809 2/20 0.37
COMT P21964 2/20 0.37
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35
SLC6A4 P31645 3/20 0.35
MAPK13 O15264 1/20 0.35
CSNK1D P48730 1/20 0.35
CSNK1E P49674 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
KCNA5 P22460 1/20 0.33
POLB P06746 1/20 0.33
P2RX7 Q99572 1/20 0.33

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
Hydrochloric Acid SCHEMBL476306 0.99 HTR6 (0.40) HTR6KCNH2COMTKDM4EMAPT
SCHEMBL3695259 0.93 HTR6 (0.36) HTR6KCNH2HTR2AHTR2CSLC6A4
Hydrochloric Acid SCHEMBL3695929 0.92 HTR6 (0.36) HTR6KCNH2HTR2AHTR2CSLC6A4
SCHEMBL476372 0.90 MMP2 (0.37) SMN1; SMN2POLB
Hydrochloric Acid SCHEMBL476489 0.89 MMP2 (0.37) SMN1; SMN2POLB
Hydrochloric Acid SCHEMBL3703128 0.89 HTR6 (0.46) HTR6KCNH2HTR2AHTR2C
SCHEMBL476445 0.87 HTR6 (0.38) HTR6KCNH2HTR2AHTR2CSLC6A4
Hydrochloric Acid SCHEMBL476331 0.86 HTR6 (0.38) HTR6KCNH2HTR2AHTR2CSLC6A4
SCHEMBL476288 0.86 COMT (0.41) HTR6COMTKDM4EMAPTSMN1; SMN2
SCHEMBL476373 0.84 GLO1 (0.39) HTR6

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2412713-B1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-11-30 EP claimed
US-20120095057-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US claimed
EP-2412713-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2012-02-01 EP claimed
EP-3329921-B1 TABLET TAKEDA PHARMACEUTICALS CO (JP) 2024-03-27 EP disclosed
CN-108135915-B Tablet formulation 武田药品工业株式会社 2021-06-25 CN disclosed
US-10835541-B2 Tablet TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-11-17 US disclosed
US-20180214460-A1 TABLET TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-08-02 US disclosed
EP-3329921-A1 TABLET Takeda Pharmaceutical Company Limited (JP) 2018-06-06 EP disclosed
EP-2412713-B1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-11-30 EP 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-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 HTR6 2380/4885KCNH2 1783/4885COMT 4484/4885

“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.