SCHEMBL6709115

SCHEMBL6709115

Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)ccc31)C[C@@H](NC(=O)Cc1ccccc1O)CC2

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.50
PTGDR2 Q9Y5Y4 4/20 0.43
TBXA2R P21731 3/20 0.42
PTGDR Q13258 3/20 0.42
ABCB11 O95342 1/20 0.42
CYP2C9 P11712 1/20 0.42
DRD1 P21728 1/20 0.42
CCKAR P32238 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
CNR1 P21554 5/20 0.39
CNR2 P34972 3/20 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
SCHEMBL6707678 0.86 HTR6 (0.58) HTR6PTGDR2TBXA2RPTGDRABCB11
SCHEMBL6707100 0.81 HTR6 (0.61) HTR6
SCHEMBL6709119 0.81 HTR6 (0.52) HTR6PTGDR2TBXA2RPTGDRABCB11
Hydrochloric Acid SCHEMBL6709094 0.80 HTR6 (0.62) HTR6
SCHEMBL6687028 0.75 HTR6 (0.64) HTR6
SCHEMBL6687023 0.75 HTR6 (0.64) HTR6
SCHEMBL6693519 0.75 HTR6 (0.64) HTR6
SCHEMBL6710520 0.72 HTR6 (0.52) HTR6PTGDR2TBXA2RPTGDR
SCHEMBL6753284 0.71 HTR6 (0.57) HTR6
SCHEMBL6038252 0.70 HTR6 (0.62) HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040162332-A1 Arylsulphonyl substituted-tetrahydro-and hexahydro-carbazoles PHARMACIA & UPJOHN COMPANY 2004-08-19 US disclosed
US-6727274-B2 Arylsulphonyl substituted-tetrahydro- and hexahydro-carbazoles PHARMACIA & UPJOHN COMPANY 2004-04-27 US disclosed
US-20030100596-A1 Arylsulphonyl substituted-tetrahydro- and hexahydro-carbazoles PHARMACIA & UPJOHN COMPANY 2003-05-29 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 (2 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-20030100596-A1 Arylsulphonyl substituted-tetrahydro- and hexahydro-carbazoles HTR6, HTR3B, HTR3C HTR6 1/4885PTGDR2 292/4885TBXA2R 384/4885
US-20040162332-A1 Arylsulphonyl substituted-tetrahydro-and hexahydro-carbazoles HTR6, HTR3B, HTR3C HTR6 1/4885PTGDR2 292/4885TBXA2R 384/4885

“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.