SCHEMBL17096902

SCHEMBL17096902

O=S(=O)(c1ccccc1)n1cc(-c2ccc3nc(CCCl)oc3c2)c2ccc(F)cc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
HTR2A P28223 4/20 0.37
HTR7 P34969 3/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.34
DRD2 P14416 4/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL17097206 0.93 HTR6 (0.42) HTR6CA12CA1CA2CA9
SCHEMBL17102220 0.88 CA12 (0.43) HTR6CA12CA1CA2CA9
SCHEMBL17096626 0.86 HTR6 (0.41) HTR6CA12CA1CA2CA9
SCHEMBL17096888 0.86 HTR6 (0.42) HTR6CA12CA1CA2CA9
SCHEMBL17096777 0.84 HTR6 (0.44) HTR6CA12CA1CA2CA9
SCHEMBL17097172 0.84 HTR6 (0.45) HTR6CA12CA1CA2CA9
SCHEMBL17120433 0.84 HTR6 (0.38) HTR6CA12CA1CA2CA9
SCHEMBL17097279 0.84 LMNA (0.41) HTR6CA12CA1CA2CA9
SCHEMBL17096742 0.83 HTR6 (0.45) HTR6HTR2AHTR7DRD2CYP3A4
SCHEMBL17102217 0.83 HTR6 (0.41) 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
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
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 HTR6 47/4885CA12 4186/4885CA1 3346/4885

“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.