SCHEMBL17097145

SCHEMBL17097145

O=S(=O)(c1ccccc1)n1cc(-c2ccc3[nH]ncc3c2)c2ccc(F)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 10/20 0.47
▸ HTR6 P50406 5/20 0.46
▸ GSK3B P49841 2/20 0.43
▸ DYRK3 O43781 1/20 0.43
▸ CLK1 P49759 1/20 0.43
▸ CLK2 P49760 1/20 0.43
▸ CLK3 P49761 1/20 0.43
▸ CDK5 Q00535 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ CDK5R1 Q15078 1/20 0.43
▸ DYRK2 Q92630 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ DYRK1B Q9Y463 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ PIK3CD O00329 1/20 0.43
▸ TRPM8 Q7Z2W7 1/20 0.42
▸ TGFBR1 P36897 1/20 0.41

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
SCHEMBL17097303 0.92 HTR6 (0.46) HTR6CLK2CDK5CLK4CA12
SCHEMBL16697491 0.82 HTR6 (0.50) HTR6CA12CA1CA2CA9
SCHEMBL17097054 0.81 HTR6 (0.48) HTR6CA12CA1CA2CA9
SCHEMBL17097068 0.80 HTR6 (0.47) HTR6CA12CA1CA2CA9
SCHEMBL17097271 0.80 HTR6 (0.46) HTR6CA12CA1CA2CA9
SCHEMBL16703414 0.79 HTR6 (0.49) HTR6CA12CA9HTR2AHTR7
SCHEMBL16990273 0.79 HTR6 (0.51) HTR6CA12CA1CA2CA9
SCHEMBL17096758 0.78 HTR6 (0.48) HTR6CA12CA1CA2CA9
SCHEMBL17097177 0.78 HTR6 (0.42) HTR6CA12CA1CA2CA9
SCHEMBL16990238 0.78 HTR6 (0.50) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 TRPA1 1785/4885HTR6 47/4885GSK3B 18/4885

“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.

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