SCHEMBL6579615

SCHEMBL6579615

COc1cccc(S(=O)(=O)c2ccc3c(c2)c(CCNC(=O)OC(C)(C)C)c(C)n3C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.45
DYRK1A Q13627 1/20 0.44
MTNR1B P49286 3/20 0.43
MTNR1A P48039 3/20 0.43
NQO2 P16083 2/20 0.43
HTR6 P50406 1/20 0.43
PTGS2 P35354 1/20 0.42
AKR1B1 P15121 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
ABCC9 O60706 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
KCNJ8 Q15842 1/20 0.40
GFER P55789 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADAM17 P78536 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
HDAC3 O15379 1/20 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
SCHEMBL6575520 0.90 SPR (0.46) SPRNQO2HTR6PTGDR2ALDH1A1
SCHEMBL7167261 0.87 SPR (0.47) SPRDYRK1ANQO2ALDH1A1HDAC3
SCHEMBL6577278 0.85 SPR (0.45) SPRDYRK1AMTNR1BMTNR1ANQO2
SCHEMBL7168801 0.84 NQO2 (0.46) SPRMTNR1BMTNR1ANQO2HTR6
SCHEMBL6575515 0.84 HTR6 (0.47) SPRMTNR1BMTNR1ANQO2HTR6
SCHEMBL6579480 0.84 SPR (0.44) SPRDYRK1ANQO2HTR6HDAC3
SCHEMBL7170064 0.83 HTR6 (0.44) SPRMTNR1BMTNR1AHTR6AKR1B1
Hydrochloric Acid SCHEMBL6580306 0.83 HTR6 (0.46) SPRMTNR1BMTNR1ANQO2HTR6
SCHEMBL6575505 0.81 MTNR1A (0.55) SPRMTNR1BMTNR1ANQO2ALDH1A1
SCHEMBL6575542 0.80 HTR6 (0.48) MTNR1BHTR6AKR1B1PTGDR2ADAM17

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1411925-A1 5-ARYLSULFONYL INDOLES HAVING 5-HT6 RECEPTOR AFFINITY PHARMACIA & UPJOHN COMPANY (US) 2004-04-28 EP claimed
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
WO-2003011284-A1 5-ARYLSULFONYL INDOLES HAVING 5-HT6 RECEPTOR AFFINITY PHARMACIA & UPJOHN COMPANY (US) 2003-02-13 WO 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 SPR 807/4885DYRK1A 629/4885MTNR1B 106/4885

“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.