SCHEMBL16997458

SCHEMBL16997458

CC(C)(C)OC(=O)N(CCS(C)(=O)=O)c1ccc(-c2cn(S(=O)(=O)c3ccccc3)c3cc(F)ccc23)cn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.39
HTR2A P28223 3/20 0.39
HTR7 P34969 3/20 0.39
SLC1A3 P43003 2/20 0.37
SLC1A2 P43004 2/20 0.37
SLC1A1 P43005 2/20 0.37
GPBAR1 Q8TDU6 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
F2 P00734 2/20 0.34
PIK3C3 Q8NEB9 1/20 0.34
DRD2 P14416 2/20 0.34
HTR1A P08908 1/20 0.34
TNFSF11 O14788 1/20 0.34

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
SCHEMBL16990282 0.90 HTR6 (0.42) HTR6HTR2AHTR7SLC1A3SLC1A2
SCHEMBL16990372 0.87 HTR6 (0.40) HTR6HTR2AHTR7SLC1A3SLC1A2
SCHEMBL16990421 0.80 HTR6 (0.42) HTR6HTR2AHTR7SLC1A3SLC1A2
SCHEMBL16990362 0.79 HTR6 (0.47) HTR6HTR2AHTR7CA12CA1
SCHEMBL16997457 0.77 TDO2 (0.55)
SCHEMBL16990252 0.77 PIK3C3 (0.47) HTR6HTR2AHTR7SLC1A3SLC1A2
SCHEMBL16697663 0.75 HTR6 (0.47) HTR6HTR2AHTR7SLC1A3SLC1A2
SCHEMBL17097149 0.74 HTR6 (0.38) HTR6HTR2AHTR7SLC1A3SLC1A2
SCHEMBL17096912 0.74 HTR6 (0.38) HTR6HTR2AHTR7SLC1A3SLC1A2
SCHEMBL16990265 0.74 HTR6 (0.50) HTR6HTR2AHTR7CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758505-B2 3-(indol-3-yl)-pyridine derivatives, pharmaceutical compositions and methods for use ITEOS THERAPEUTICS (BE) 2017-09-12 US disclosed
US-9758505-B2 3-(indol-3-yl)-pyridine derivatives, pharmaceutical compositions and methods for use ITEOS THERAPEUTICS (BE) 2017-09-12 US disclosed
US-20150225367-A1 NOVEL 3-(INDOL-3-YL)-PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-08-13 US disclosed
US-20150225367-A1 NOVEL 3-(INDOL-3-YL)-PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-08-13 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 (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-20150225367-A1 NOVEL 3-(INDOL-3-YL)-PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TDO2, IDO1, IDO2 HTR6 61/4885HTR2A 161/4885HTR7 50/4885

“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.