SCHEMBL476415

SCHEMBL476415

Cc1cccc(S(=O)(=O)c2cc(CN(CC(C)(C)C)C(=O)O)nn2-c2cccnc2F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.35
ABCC9 O60706 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
KCNJ8 Q15842 1/20 0.33
GRM1 Q13255 2/20 0.31
HRH1 P35367 1/20 0.31
GRM5 P41594 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GRM4 Q14833 1/20 0.31
ELANE P08246 1/20 0.31
TAS2R14 Q9NYV8 1/20 0.31
NAMPT P43490 2/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR7 P34969 1/20 0.30

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
SCHEMBL3700744 0.92 PTGDR2 (0.33) HTR6ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL476339 0.91 HTR6 (0.32) HTR6NAMPTHTR2AHTR2CHTR7
SCHEMBL3705969 0.89 SLC16A3 (0.39) ABCC9ABCC8KCNJ11KCNJ8TAS2R14
SCHEMBL476326 0.89 COMT (0.36) HTR6KMT2ACOMT
SCHEMBL476395 0.89 NAMPT (0.33) GRM5NAMPT
SCHEMBL476470 0.87 HTR6 (0.36) HTR6ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL3697999 0.86 P2RX7 (0.33) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL476363 0.83 HTR6 (0.39) HTR6MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL3699813 0.82 ABCC9 (0.34) ABCC9ABCC8KCNJ11KCNJ8ALDH1A1
SCHEMBL476414 0.82 HTR2C (0.39) HTR6ABCC9ABCC8KCNJ11KCNJ8

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 3 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-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 2380/4885ABCC9 1162/4885ABCC8 1623/4885

“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.