SCHEMBL476372

SCHEMBL476372

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.37
MMP9 P14780 3/20 0.37
MMP8 P22894 3/20 0.37
MMP13 P45452 3/20 0.37
NFE2L2 Q16236 2/20 0.37
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSD11B1 P28845 1/20 0.35
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
MMP12 P39900 1/20 0.35
MMP14 P50281 1/20 0.35
MMP16 P51512 1/20 0.35
ADAM17 P78536 1/20 0.35

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 SCHEMBL476489 0.99 MMP2 (0.37) MMP2MMP9MMP8MMP13NFE2L2
SCHEMBL476271 0.90 HTR6 (0.40) POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL3690326 0.90 NFE2L2 (0.42) NFE2L2LMNATSHRGLO1SLC40A1
Hydrochloric Acid SCHEMBL476306 0.89 HTR6 (0.40) POLBSMN1; SMN2
SCHEMBL3695259 0.89 HTR6 (0.36) NAMPT
SCHEMBL476443 0.88 CA1 (0.45) MMP2MMP9MMP8MMP13NFE2L2
Hydrochloric Acid SCHEMBL3695929 0.88 HTR6 (0.36) SLC40A1NAMPT
SCHEMBL476445 0.83 HTR6 (0.38) KMT2AMEN1SLC40A1NAMPTPKM
Hydrochloric Acid SCHEMBL3703128 0.83 HTR6 (0.46) NFE2L2
Hydrochloric Acid SCHEMBL476331 0.82 HTR6 (0.38) KMT2AMEN1SLC40A1NAMPTPKM

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 MMP2 789/4885MMP9 2223/4885MMP8 2081/4885

“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.