SCHEMBL6577979

SCHEMBL6577979

COc1cccc(S(=O)(=O)c2ccc3[nH]c(C)c(CCN)c3c2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.66
HTR1D P28221 3/20 0.66
TRPM8 Q7Z2W7 1/20 0.49
HTR7 P34969 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTR3A P46098 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTR1A P08908 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR1E P28566 1/20 0.48
HTR5A P47898 1/20 0.48
MTNR1B P49286 3/20 0.47
MTNR1A P48039 2/20 0.47
AKR1C2 P52895 1/20 0.46

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
Hydrochloric Acid SCHEMBL6577359 0.99 HTR6 (0.65) HTR6HTR1DTRPM8HTR7CYP1A2
SCHEMBL6575496 0.86 HTR6 (0.56) HTR6HTR1DTRPM8HTR7CYP1A2
Hydrochloric Acid SCHEMBL6575484 0.85 HTR6 (0.54) HTR6HTR1DTRPM8HTR7CYP1A2
SCHEMBL6575580 0.82 HTR6 (0.57) HTR6HTR1DTRPM8HTR7CYP1A2
Hydrochloric Acid SCHEMBL6580144 0.81 HTR6 (0.56) HTR6HTR1DTRPM8HTR7CYP1A2
SCHEMBL4244966 0.80 HTR1D (1.00) HTR6HTR1DTRPM8HTR7CYP1A2
SCHEMBL6575505 0.80 MTNR1A (0.55) TDP1MTNR1BMTNR1AMAPTTP53
Hydrochloric Acid SCHEMBL7433474 0.79 HTR1D (0.97) HTR6HTR1DTRPM8HTR7CYP1A2
SCHEMBL6577240 0.79 HTR6 (0.53) HTR6HTR1DTRPM8HTR7CYP1A2
Hydrochloric Acid SCHEMBL6577908 0.78 HTR6 (0.52) HTR6HTR1DTRPM8HTR7CYP1A2

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
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
EP-1411925-A1 5-ARYLSULFONYL INDOLES HAVING 5-HT6 RECEPTOR AFFINITY PHARMACIA & UPJOHN COMPANY (US) 2004-04-28 EP disclosed
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
WO-2003011284-A1 5-ARYLSULFONYL INDOLES HAVING 5-HT6 RECEPTOR AFFINITY PHARMACIA & UPJOHN COMPANY (US) 2003-02-13 WO 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 14/4885HTR1D 33/4885TRPM8 3656/4885

“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.