SCHEMBL16697223

SCHEMBL16697223

CC(C)(C)OC(=O)n1cc(-c2cn(S(=O)(=O)c3ccccc3)c3cc(F)c(F)cc23)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.46
SCN9A Q15858 2/20 0.42
SCD O00767 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
PDPK1 O15530 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ROCK2 O75116 1/20 0.36
HTR2A P28223 2/20 0.36
HTR7 P34969 2/20 0.36
TNFSF11 O14788 1/20 0.36

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
SCHEMBL16697663 0.91 HTR6 (0.47) HTR6SCN9ASCDL3MBTL1PDPK1
SCHEMBL16697816 0.88 HTR6 (0.46) HTR6SCN9ASCDL3MBTL1PDPK1
SCHEMBL16697679 0.82 HTR6 (0.47) HTR6
SCHEMBL13746209 0.81 HTR6 (0.40) HTR6SCN9ASCDPDPK1ROCK2
SCHEMBL14049072 0.81 HTR6 (0.40) HTR6SCN9ASCDPDPK1ROCK2
SCHEMBL16698021 0.76 PDK2 (0.46) HTR6L3MBTL1CA12CA1CA2
SCHEMBL16697643 0.76 HTR6 (0.47) HTR6SCN9APDPK1SLC1A3SLC1A2
SCHEMBL16698398 0.75 MET (0.48) HTR6SMN1; SMN2
SCHEMBL3506204 0.75 BRD4 (0.40) HTR6SCN9ASCDPDPK1MEN1
SCHEMBL16703455 0.75 HTR6 (0.46) HTR6SCN9AL3MBTL1PDPK1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160263087-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2016-09-15 US disclosed
EP-3066090-A1 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE iTeos Therapeutics (BE) 2016-09-14 EP disclosed
US-20150328228-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-11-19 US disclosed
US-9126984-B2 4-(indol-3-yl)-pyrazole derivatives, pharmaceutical compositions and methods for use ITEOS THERAPEUTICS SA (BE) 2015-09-08 US disclosed
WO-2015067782-A1 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-05-14 WO disclosed
US-20150133422-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS SA (BE) 2015-05-14 US 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 (3 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-20150133422-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TDO2, IDO1, IDO2 HTR6 101/4885SCN9A 4588/4885SCD 833/4885
US-20160263087-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TDO2, IDO1, TPH1 HTR6 84/4885SCN9A 4206/4885SCD 614/4885
US-20150328228-A1 NOVEL 4-(INDOL-3-YL)-PYRAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TDO2, IDO1, IDO2 HTR6 144/4885SCN9A 4512/4885SCD 772/4885

“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.