SCHEMBL4801671

SCHEMBL4801671

COc1ccc(Br)cc1NS(=O)(=O)c1ccc(I)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.54
GHSR Q92847 1/20 0.54
ACLY P53396 1/20 0.53
HTR6 P50406 2/20 0.53
HTR7 P34969 1/20 0.53
HTR4 Q13639 1/20 0.53
ALDH1A1 P00352 7/20 0.52
TP53 P04637 1/20 0.52
KMT2A Q03164 4/20 0.52
TSHR P16473 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
HTT P42858 2/20 0.52
JAK2 O60674 1/20 0.52
HPGD P15428 2/20 0.51
POLB P06746 1/20 0.51
CYP2C9 P11712 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
MAPK1 P28482 2/20 0.48

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
SCHEMBL4730290 0.82 LMNA (0.71) LMNAGHSRALDH1A1KMT2ATSHR
SCHEMBL2983501 0.81 GHSR (0.57) LMNAGHSRHTR6HTR7HTR4
SCHEMBL4804238 0.78 GHSR (0.62) LMNAGHSRACLYALDH1A1KMT2A
SCHEMBL12786357 0.77 ALDH1A1 (0.54) LMNAGHSRALDH1A1TP53KMT2A
SCHEMBL2994570 0.77 ALDH1A1 (0.79) LMNAGHSRHTR6ALDH1A1KMT2A
SCHEMBL17363249 0.77 ACLY (0.54) ACLYALDH1A1KMT2ATSHRPOLB
SCHEMBL2835167 0.77 POLB (0.66) LMNAALDH1A1KMT2ATSHRHTT
SCHEMBL15232995 0.76 LMNA (0.53) LMNAGHSRACLYALDH1A1TP53
SCHEMBL213547 0.75 LMNA (0.77) LMNAHTR6ALDH1A1KMT2ATSHR
SCHEMBL8752466 0.75 ALDH1A1 (0.70) LMNAALDH1A1TP53KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7381728-B2 Piperazine derivatives useful for the treatment of gastrointestinal disorders GLAXO GROUP LIMITED (GB) 2008-06-03 US disclosed
US-20070259877-A1 Piperazine Derivatives Useful for the Treatment of Gastrointestinal Disorders GLAXO GROUP LIMITED 2007-11-08 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-20070259877-A1 Piperazine Derivatives Useful for the Treatment of Gastrointestinal Disorders GHSR, GHRHR, GIPR LMNA 4445/4885GHSR 1/4885ACLY 1327/4885

“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.