SCHEMBL17097303

SCHEMBL17097303

O=S(=O)(c1ccccc1)n1cc(-c2ccc3cn[nH]c3c2)c2ccc(F)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 8/20 0.46
▸ FGFR1 P11362 3/20 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
▸ ALDH1A1 P00352 1/20 0.42
▸ HTR2A P28223 3/20 0.41
▸ HTR7 P34969 3/20 0.41
▸ DRD2 P14416 2/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ MKNK1 Q9BUB5 3/20 0.41
▸ MKNK2 Q9HBH9 3/20 0.41
▸ FGFR2 P21802 2/20 0.40
▸ MAP4K4 O95819 2/20 0.39
▸ PDGFRB P09619 2/20 0.39
▸ PDGFRA P16234 2/20 0.39
▸ CDK8 P49336 2/20 0.39
▸ PRKX P51817 2/20 0.39
▸ AURKB Q96GD4 2/20 0.39

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
SCHEMBL17097145 0.92 TRPA1 (0.47) HTR6CA12CA1CA2CA9
SCHEMBL17097054 0.81 HTR6 (0.48) HTR6CA12CA1CA2CA9
SCHEMBL17096758 0.80 HTR6 (0.48) HTR6CA12CA1CA2CA9
SCHEMBL16697491 0.80 HTR6 (0.50) HTR6CA12CA1CA2CA9
SCHEMBL16703414 0.79 HTR6 (0.49) HTR6CA12CA9HTR2AHTR7
SCHEMBL16990273 0.79 HTR6 (0.51) HTR6CA12CA1CA2CA9
SCHEMBL17097068 0.78 HTR6 (0.47) HTR6CA12CA1CA2CA9
SCHEMBL17096726 0.78 HTR6 (0.42) HTR6CA12CA1CA2CA9
SCHEMBL16990265 0.78 HTR6 (0.50) 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 HTR6 47/4885FGFR1 1638/4885CA12 4186/4885

“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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