SCHEMBL7170076

SCHEMBL7170076

Cc1c(CCN(C)C(=O)OC(C)(C)C)c2cc(S(=O)(=O)c3cc(F)cc(F)c3)ccc2n1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.39
PTGDR2 Q9Y5Y4 7/20 0.35
SPR P35270 1/20 0.34
KAT6A Q92794 1/20 0.33
KAT5 Q92993 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
PTGDR Q13258 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
MAP4K1 Q92918 1/20 0.32
AVPR1B P47901 1/20 0.32

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
SCHEMBL7163608 0.90 ALDH1A1 (0.36) HTR6PTGDR2SPRTRPV4HDAC3
SCHEMBL7167082 0.89 HTR6 (0.41) HTR6PTGDR2SPRTRPV4PTGDR
SCHEMBL7166243 0.88 HTR6 (0.41) HTR6PTGDR2SPRTRPV4HDAC3
SCHEMBL7170064 0.85 HTR6 (0.44) HTR6PTGDR2SPR
SCHEMBL7170278 0.83 HTR6 (0.43) HTR6PTGDR2TRPV4HDAC3HDAC4
SCHEMBL6577278 0.83 SPR (0.45) HTR6SPRHDAC3HDAC4HDAC1
SCHEMBL6575514 0.77 HTR6 (0.45) HTR6PTGDR2SPRPTGDRHDAC3
Hydrochloric Acid SCHEMBL6577886 0.76 HTR6 (0.44) HTR6PTGDR2SPRPTGDRHDAC3
SCHEMBL6577305 0.75 HTR6 (0.44) HTR6PTGDR2SPRPTGDRHDAC3
SCHEMBL6580188 0.74 HTR6 (0.45) HTR6PTGDR2PTGDR

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-6565829-B2 Psychological disorders; central nervous system disorders PHARMACIA & UPJOHN COMPANY 2003-05-20 US claimed
US-20030060498-A1 5-arylsulfonyl indoles useful for treating disease PHARMACIA & UPJOHN COMPANY 2003-03-27 US claimed
US-6565829-B2 Psychological disorders; central nervous system disorders PHARMACIA & UPJOHN COMPANY 2003-05-20 US disclosed
US-20030060498-A1 5-arylsulfonyl indoles useful for treating disease PHARMACIA & UPJOHN COMPANY 2003-03-27 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-20030060498-A1 5-arylsulfonyl indoles useful for treating disease IDO1, HTR5A, IDO2 HTR6 14/4885PTGDR2 1039/4885SPR 807/4885

“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.