SCHEMBL3744502

SCHEMBL3744502

CCC1C(CC(=O)O)c2ccccc2N1S(=O)(=O)c1ccc(OC)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.51
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KCNH2 Q12809 1/20 0.45
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
FABP4 P15090 2/20 0.42

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
SCHEMBL3742287 0.76 HTR6 (0.62) HTR6ALDH1A1TSHRSMN1; SMN2KCNH2
SCHEMBL3753998 0.69 HTR6 (0.58) HTR6ALDH1A1TSHRSMN1; SMN2KCNH2
Trifluoroacetic Acid SCHEMBL3759673 0.65 HTR6 (0.88) HTR6ALDH1A1TSHRSMN1; SMN2KCNH2
SCHEMBL3761881 0.65 HTR6 (0.81) HTR6ALDH1A1TSHRSMN1; SMN2KCNH2
SCHEMBL3749366 0.64 HTR6 (0.73) HTR6ALDH1A1TSHRSMN1; SMN2KCNH2
SCHEMBL8692029 0.64 ALDH1A1 (0.65) HTR6ALDH1A1TSHRSMN1; SMN2KDM4E
SCHEMBL6528245 0.63 PTGDR2 (0.35) TSHRMAPK1FABP4
SCHEMBL2567982 0.63 ALDH1A1 (0.55) ALDH1A1TSHRSMN1; SMN2MAPK1HTT
SCHEMBL9093841 0.62 ALDH1A1 (0.62) HTR6ALDH1A1TSHRSMN1; SMN2KDM4E
SCHEMBL13719098 0.61 ALDH1A1 (0.54) ALDH1A1TSHRSMN1; SMN2MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838518-B2 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders N.V. ORGANON (NL) 2010-11-23 US disclosed
EP-1476151-B1 1-ARYLSULFONYL-3-SUBSTITUED INDOLE AND INDOLINE DERIVATES USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ORGANON NV (NL) 2008-07-16 EP disclosed
US-20050154023-A1 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders MERCK SHARP & DOHME B.V. (NL) 2005-07-14 US disclosed
EP-1476151-A1 1-ARYLSULFONYL-3-SUBSTITUED INDOLE AND INDOLINE DERIVATES USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Akzo Nobel N.V. (NL) 2004-11-17 EP disclosed
WO-2003068220-A1 1-ARYLSULFONYL-3-SUBSTITUTED INDOLE AND INDOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS AKZO NOBEL N.V. (NL) 2003-08-21 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-20050154023-A1 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders TPH1, HTR1A, HTR1D HTR6 12/4885ALDH1A1 1048/4885TSHR 613/4885

“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.