SCHEMBL5111868

SCHEMBL5111868

CC(=O)Nc1ccc2c(c1)-c1ccccc1S2(=O)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 10/20 0.81
ABCC9 O60706 1/20 0.64
ABCC8 Q09428 1/20 0.64
KCNJ11 Q14654 1/20 0.64
KCNJ8 Q15842 1/20 0.64
MEN1 O00255 1/20 0.58
NPC1 O15118 1/20 0.58
ALDH1A1 P00352 1/20 0.58
MAPT P10636 1/20 0.58
RAB9A P51151 1/20 0.58
KMT2A Q03164 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
EPHX2 P34913 1/20 0.56
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
CYP1A2 P05177 1/20 0.50
ADRA2A P08913 1/20 0.50
SLC6A2 P23975 1/20 0.50

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
SCHEMBL5116247 0.84 ABCC9 (0.60) MAOAABCC9ABCC8KCNJ11KCNJ8
SCHEMBL10972005 0.84 MAOA (1.00) MAOAMEN1NPC1ALDH1A1MAPT
SCHEMBL5113896 0.78 ABCC9 (1.00) MAOAABCC9ABCC8KCNJ11KCNJ8
SCHEMBL3954523 0.76 MAOA (0.84) MAOAMEN1NPC1ALDH1A1MAPT
SCHEMBL21840827 0.76 MAOA (0.90) MAOAMEN1NPC1ALDH1A1MAPT
SCHEMBL6339286 0.76 ABCC9 (0.60) MAOAABCC9ABCC8KCNJ11KCNJ8
SCHEMBL5110628 0.76 ABCC9 (0.51) MAOAABCC9ABCC8KCNJ11KCNJ8
SCHEMBL13165575 0.75 ALDH1A1 (0.67) MAOAMEN1NPC1ALDH1A1MAPT
SCHEMBL6339283 0.75 NPY5R (0.57) MAOAABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6416133 0.74 ABCC9 (0.57) MAOAABCC9ABCC8KCNJ11KCNJ8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332492-B2 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by NP Y5 receptor ASTRAZENECA AB (SE) 2008-02-19 US disclosed
US-6967216-B2 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by NP Y5 receptor ASTRAZENECA AB (SE) 2005-11-22 US disclosed
US-20050209233-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by NP Y5 receptor ASTRAZENECA AB (SE) 2005-09-22 US disclosed
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor ASTRAZENECA AB (SE) 2003-12-04 US disclosed
EP-1278739-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR AstraZeneca AB (SE) 2003-01-29 EP disclosed
WO-2001085714-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR ASTRAZENECA AB (SE) 2001-11-15 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 (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-20050209233-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by NP Y5 receptor NPY5R, NPY1R, NPY2R MAOA 1240/4885ABCC9 3402/4885ABCC8 3798/4885
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor NPY5R, NPY1R, NPY2R MAOA 1133/4885ABCC9 4182/4885ABCC8 4453/4885

“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.