SCHEMBL6577932

SCHEMBL6577932

Cc1ccc(S(=O)(=O)c2ccc3[nH]cc(CCNC(=O)OC(C)(C)C)c3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.54
MTNR1B P49286 3/20 0.54
SPR P35270 1/20 0.53
TRPV1 Q8NER1 1/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
SNCA P37840 1/20 0.46
GFER P55789 1/20 0.46
FAAH O00519 1/20 0.46
CYP1A2 P05177 2/20 0.46
NQO2 P16083 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
CYP1A1 P04798 1/20 0.46
MPO P05164 1/20 0.46
CYP3A4 P08684 1/20 0.46
HTR1A P08908 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
SCHEMBL6577939 0.92 FAAH (0.53) MTNR1AMTNR1BSPRTRPV1MAPT
Trimethylammonium SCHEMBL8321230 0.84 MTNR1A (0.65) MTNR1AMTNR1BSPRTRPV1MAPT
SCHEMBL8869773 0.84 LTA4H (0.59) MTNR1AMTNR1BTRPV1MAPTPOLB
SCHEMBL6579596 0.82 MTNR1A (0.47) MTNR1AMTNR1BSPRMAPTSMN1; SMN2
SCHEMBL31077788 0.81 TRPV1 (0.70) SPRTRPV1MAPTALDH1A1HPGD
SCHEMBL798165 0.81 TRPV1 (0.70) SPRTRPV1MAPTALDH1A1HPGD
SCHEMBL8613795 0.81 TRPV1 (0.55) MTNR1AMTNR1BSPRTRPV1MAPT
SCHEMBL13285078 0.81 MTNR1A (0.56) MTNR1AMTNR1BTRPV1MAPTSMN1; SMN2
SCHEMBL7318352 0.80 MTNR1A (0.70) MTNR1AMTNR1BSPRTRPV1MAPT
SCHEMBL2544150 0.80 HPGD (0.55) MTNR1AMTNR1BSPRTRPV1MAPT

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 MTNR1A 104/4885MTNR1B 106/4885SPR 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.