SCHEMBL7129690

SCHEMBL7129690

CC(C)(C)OC(=O)NCCCOc1ccc2c(c1)S(=O)(=O)CC2Sc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.44
CA12 O43570 5/20 0.44
CA1 P00915 5/20 0.44
CA2 P00918 5/20 0.44
CA9 Q16790 5/20 0.44
SUCNR1 Q9BXA5 5/20 0.39
SLC10A2 Q12908 1/20 0.39
IDO1 P14902 1/20 0.38
EGFR P00533 2/20 0.37
ITK Q08881 2/20 0.37
GPR119 Q8TDV5 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
ADAM17 P78536 1/20 0.37
CYP1A1 P04798 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP3A43 Q9HB55 1/20 0.36

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
SCHEMBL7131394 0.97 PDK2 (0.47) PDK2CA12CA1CA2CA9
SCHEMBL7129688 0.91 CA12 (0.44) PDK2CA12CA1CA2CA9
SCHEMBL7129109 0.91 PDK2 (0.48) PDK2CA12CA1CA2CA9
SCHEMBL7131393 0.88 PDK2 (0.45) PDK2CA12CA1CA2CA9
SCHEMBL7134170 0.88 PDK2 (0.44) PDK2CA12CA1CA2CA9
SCHEMBL7134353 0.86 CA12 (0.47) PDK2CA12CA1CA2CA9
SCHEMBL7129105 0.84 PDK2 (0.46) PDK2CA12CA1CA2CA9
SCHEMBL7129179 0.84 IDO1 (0.41) PDK2CA12CA1CA2CA9
SCHEMBL7131902 0.83 PSEN1 (0.38) SLC10A2GPR119CYP2C19
SCHEMBL7128134 0.81 CA1 (0.50) PDK2CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030073706-A1 Fused thiophone derivatives and drugs containing the same as the active ingredient KONISHI MIKIO (JP) 2003-04-17 US claimed
US-6420391-B1 PREVENTION AND/OR TREATMENT OF VARIOUS INFLAMMATORY DISEASES, SEPSIS, MULTIPLE MYELOMA, PLASMA CELL LEUKEMIA, OSTEOPOROSIS, CACHEXIA, PSORIASIS, NEPHRITIS, RENAL CELL CARCINOMA, KAPOSI'S SARCOMA, RHEUMATOID ARTHRITIS, GAMMOPATHY, CASTLEMAN'S ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US claimed
EP-1067128-A1 FUSED THIOPHENE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-01-10 EP claimed
US-6555555-B1 Inhibitors of interleukin-6 and/or interleukin-12; for example 4,5-dimethyl-1,1-dioxidebenzo(b)thiophene; treating various inflammatory diseases, autoimmune diseases, cancer, osteoporosis ONO PHARMACEUTICAL CO., LTD. (JP) 2003-04-29 US disclosed
US-20030073706-A1 Fused thiophone derivatives and drugs containing the same as the active ingredient KONISHI MIKIO (JP) 2003-04-17 US disclosed
US-6420391-B1 PREVENTION AND/OR TREATMENT OF VARIOUS INFLAMMATORY DISEASES, SEPSIS, MULTIPLE MYELOMA, PLASMA CELL LEUKEMIA, OSTEOPOROSIS, CACHEXIA, PSORIASIS, NEPHRITIS, RENAL CELL CARCINOMA, KAPOSI'S SARCOMA, RHEUMATOID ARTHRITIS, GAMMOPATHY, CASTLEMAN'S ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US disclosed
EP-1067128-A1 FUSED THIOPHENE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-01-10 EP 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-20030073706-A1 Fused thiophone derivatives and drugs containing the same as the active ingredient TPMT, CD47, THPO PDK2 1452/4885CA12 838/4885CA1 2040/4885

“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.