SCHEMBL7166243

SCHEMBL7166243

Cc1c(CCN(C)C(=O)OC(C)(C)C)c2cc(S(=O)(=O)c3ccc(C(F)(F)F)cc3)ccc2n1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.41
TRPV4 Q9HBA0 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.34
SPR P35270 1/20 0.34
AKR1B1 P15121 1/20 0.34
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 1/20 0.33
TACR1 P25103 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNA1C Q13936 1/20 0.33
ALOX5 P09917 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 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 0.91 ALDH1A1 (0.36) HTR6TRPV4PTGDR2SPRHDAC3
SCHEMBL7167082 0.90 HTR6 (0.41) HTR6TRPV4PTGDR2SPRHDAC3
SCHEMBL7170076 0.88 HTR6 (0.39) HTR6TRPV4PTGDR2SPRHDAC3
SCHEMBL7170064 0.84 HTR6 (0.44) HTR6PTGDR2SPRAKR1B1
SCHEMBL6579480 0.83 SPR (0.44) HTR6SPRAKR1C3HDAC3HDAC4
SCHEMBL7170278 0.82 HTR6 (0.43) HTR6TRPV4PTGDR2HDAC3HDAC4
SCHEMBL6577904 0.79 HTR6 (0.47) HTR6PTGDR2SPR
Hydrochloric Acid SCHEMBL6577960 0.78 HTR6 (0.46) HTR6PTGDR2SPRHDAC3HDAC4
SCHEMBL6577239 0.77 HTR6 (0.46) HTR6TRPV4PTGDR2SPRAKR1C3
Hydrochloric Acid SCHEMBL6579605 0.76 HTR6 (0.45) HTR6TRPV4PTGDR2SPRAKR1C3

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 14/4885TRPV4 2287/4885PTGDR2 1039/4885

“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.