SCHEMBL5113896

SCHEMBL5113896

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 9/20 1.00
ABCC8 Q09428 9/20 1.00
KCNJ11 Q14654 9/20 1.00
KCNJ8 Q15842 9/20 1.00
PDK1 Q15118 9/20 0.56
PDK2 Q15119 9/20 0.56
PDK3 Q15120 9/20 0.56
PDK4 Q16654 9/20 0.56
MAOA P21397 1/20 0.53
ABCB11 O95342 1/20 0.52
EPHX2 P34913 1/20 0.51

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
SCHEMBL7832380 0.81 ABCC9 (0.67) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL5111868 0.78 MAOA (0.81) ABCC9ABCC8KCNJ11KCNJ8MAOA
SCHEMBL7833541 0.78 LCK (0.68) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL5766745 0.78 ABCC9 (0.63) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL5116247 0.75 ABCC9 (0.60) ABCC9ABCC8KCNJ11KCNJ8PDK2
SCHEMBL6339286 0.75 ABCC9 (0.60) ABCC9ABCC8KCNJ11KCNJ8PDK2
SCHEMBL7829732 0.73 ABCC9 (0.58) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL6416133 0.73 ABCC9 (0.57) ABCC9ABCC8KCNJ11KCNJ8PDK2
SCHEMBL5110259 0.73 ABCC9 (0.57) ABCC9ABCC8KCNJ11KCNJ8PDK2
SCHEMBL5767979 0.73 ABCC9 (0.57) ABCC9ABCC8KCNJ11KCNJ8PDK1

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 ABCC9 3402/4885ABCC8 3798/4885KCNJ11 3207/4885
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor NPY5R, NPY1R, NPY2R ABCC9 4182/4885ABCC8 4453/4885KCNJ11 3483/4885

“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.