SCHEMBL476414

SCHEMBL476414

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.39
SLC6A4 P31645 8/20 0.39
HTR2A P28223 2/20 0.37
HTR6 P50406 4/20 0.35
RORC P51449 2/20 0.33
ABCC9 O60706 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
KCNJ8 Q15842 1/20 0.33
F2 P00734 3/20 0.32
HTR7 P34969 1/20 0.32
HRH1 P35367 1/20 0.31
GRM5 P41594 1/20 0.31
GRM1 Q13255 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31

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
SCHEMBL3807718 0.92 HTR2C (0.41) HTR2CSLC6A4HTR2AHTR6HTR7
SCHEMBL3700738 0.91 HTR2C (0.44) HTR2CSLC6A4HTR2AHTR6F2
SCHEMBL476337 0.91 HTR2C (0.38) HTR2CSLC6A4HTR2AHTR6F2
SCHEMBL3705968 0.90 SLC16A3 (0.39) HTR2CSLC6A4HTR2AABCC9ABCC8
SCHEMBL476325 0.89 HTR2C (0.42) HTR2CSLC6A4HTR2AHTR6RORC
SCHEMBL476394 0.89 HTR2C (0.37) HTR2CSLC6A4HTR2ARORC
SCHEMBL476470 0.88 HTR6 (0.36) HTR2CHTR2AHTR6ABCC9ABCC8
SCHEMBL3697997 0.86 HTR2C (0.41) HTR2CSLC6A4HTR2AF2
SCHEMBL3699812 0.83 HTR2C (0.38) HTR2CSLC6A4HTR2AABCC9ABCC8
SCHEMBL476415 0.82 HTR6 (0.35) HTR2CHTR2AHTR6ABCC9ABCC8

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.