SCHEMBL17097196

SCHEMBL17097196

O=S(=O)(c1ccccc1)n1cc(-c2ccc3oc(CN4CCOCC4)nc3c2)c2ccc(F)cc21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.38
IDO1 P14902 1/20 0.38
IDO2 Q6ZQW0 1/20 0.38
GRM2 Q14416 1/20 0.38
HTR6 P50406 8/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CB P42338 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
LMNA P02545 1/20 0.36
MOK Q9UQ07 1/20 0.36
SLC2A1 P11166 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 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
SCHEMBL17097279 0.94 LMNA (0.41) TDO2IDO1IDO2GRM2HTR6
SCHEMBL17096625 0.91 HTR6 (0.47) HTR6CYP3A4CYP2D6
SCHEMBL17096852 0.91 HTR6 (0.45) TDO2IDO1IDO2GRM2HTR6
SCHEMBL17096888 0.86 HTR6 (0.42) HTR6CA12CA1CA2CA9
SCHEMBL17096742 0.85 HTR6 (0.45) TDO2IDO1IDO2GRM2HTR6
SCHEMBL17097319 0.85 HTR6 (0.47) HTR6CYP3A4CYP2D6LMNA
SCHEMBL17097147 0.83 HPGD (0.48) TDO2IDO1IDO2GRM2HTR6
SCHEMBL17102148 0.83 CA12 (0.42) HTR6CA12CA1CA2CA9
SCHEMBL17097130 0.82 HTR6 (0.41) HTR6CA12CA1CA2CA9
SCHEMBL17097229 0.82 HTR6 (0.39) HTR6CA12CA1CA2CA9

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
EP-3119763-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE Iteos Therapeutics (BE) 2017-01-25 EP disclosed
WO-2015140717-A9 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2016-03-24 WO disclosed
US-20150266857-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-09-24 US disclosed
US-20150266857-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-09-24 US disclosed
WO-2015140717-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-09-24 WO disclosed
US-20150266857-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE ITEOS THERAPEUTICS (BE) 2015-09-24 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-20150266857-A1 NOVEL 3-INDOL SUBSTITUTED DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TDO2, IDO1, IDO2 TDO2 1/4885IDO1 2/4885IDO2 3/4885

“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.