SCHEMBL3751705

SCHEMBL3751705

COc1ccc(S(=O)(=O)n2cc(C(=O)N3CCNCC3)c3ccccc32)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.56
KCNH2 Q12809 1/20 0.51
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 1/20 0.46
REN P00797 1/20 0.44
TNFSF11 O14788 3/20 0.43
KMT2A Q03164 2/20 0.43
TNF P01375 1/20 0.43
MEN1 O00255 1/20 0.43
FABP4 P15090 1/20 0.42
AVPR1B P47901 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
Trifluoroacetic Acid SCHEMBL3752797 0.83 AVPR1B (0.52) HTR6KCNH2RENAVPR1B
Trifluoroacetic Acid SCHEMBL3752822 0.83 AVPR1B (0.52) HTR6KCNH2ALDH1A1TSHRSMN1; SMN2
Trifluoroacetic Acid SCHEMBL3755402 0.83 AVPR1B (0.53) HTR6KCNH2ALDH1A1TSHRSMN1; SMN2
Trifluoroacetic Acid SCHEMBL3744543 0.82 HTR6 (0.47) HTR6KCNH2AVPR1B
SCHEMBL3754250 0.82 FABP4 (0.58) HTR6ALDH1A1TSHRSMN1; SMN2NPC1
SCHEMBL3747271 0.75 ALDH1A1 (0.46) HTR6ALDH1A1TSHRSMN1; SMN2AVPR1B
SCHEMBL3754777 0.75 ALDH1A1 (0.48) HTR6ALDH1A1TSHRSMN1; SMN2NPC1
SCHEMBL3759249 0.75 ALDH1A1 (0.45) HTR6ALDH1A1TSHRSMN1; SMN2NPC1
SCHEMBL3750899 0.75 ACLY (0.46) HTR6ALDH1A1TSHRSMN1; SMN2NPC1
SCHEMBL3746693 0.74 HTR6 (0.58) HTR6ALDH1A1TSHRSMN1; SMN2NPC1

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-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

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 12/4885KCNH2 718/4885ALDH1A1 1048/4885

“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.