SCHEMBL7126887

SCHEMBL7126887

COc1ccc2c(c1CNC(=O)OC(C)(C)C)C(S(=O)(=O)c1ccccc1)CS2(O)O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CYP2D6 P10635 1/20 0.35
IDO1 P14902 1/20 0.34
ACACB O00763 2/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 1/20 0.33
KDM4A O75164 1/20 0.33
ACACA Q13085 1/20 0.33
RAB9A P51151 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ITGAV P06756 1/20 0.33
TP53 P04637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7126890 0.91 DRD2 (0.36) DRD2CA12CA1CA7CA14
SCHEMBL7124853 0.90 CA12 (0.37) CA12CA1CA7CA14IDO1
SCHEMBL7127202 0.89 HDAC1 (0.36) CA12CA1CA7CA14IDO1
SCHEMBL7249512 0.87 SIGMAR1 (0.37) CA12CA1CA7CA14IDO1
SCHEMBL7134803 0.83 CA1 (0.37) CA12CA1CA7CA14IDO1
SCHEMBL7127420 0.83 IDO1 (0.39) CA12CA1IDO1ACACBCA2
SCHEMBL7124855 0.81 CA1 (0.37) CA12CA1CA7CA14IDO1
SCHEMBL7134128 0.80 POLB (0.35) POLBALDH1A1KMT2ARAB9ATP53
SCHEMBL7127208 0.80 HDAC1 (0.36) CA12CA1CA7CA14IDO1
Hydrochloric Acid SCHEMBL7250224 0.80 POLB (0.34) POLBALDH1A1KMT2ARAB9ATP53

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 DRD2 4880/4885CA12 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.