SCHEMBL7122842

SCHEMBL7122842

O=C(Nc1cccc(COc2cccc3c2C(S(=O)(=O)c2ccccc2)CS3(=O)=O)c1)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.49
SIRT1 Q96EB6 2/20 0.49
SIRT3 Q9NTG7 2/20 0.49
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
SENP5 Q96HI0 1/20 0.46
SENP2 Q9HC62 1/20 0.46
SENP1 Q9P0U3 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
KCNK3 O14649 1/20 0.46
SGMS2 Q8NHU3 4/20 0.44
LRRK2 Q5S007 4/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL7122840 0.92 SIRT2 (0.49) SIRT2SIRT1SIRT3RAB9ASMN1; SMN2
SCHEMBL7132100 0.85 HTR1A (0.43) CYP11B1CYP11B2SGMS2MEN1ALDH1A1
SCHEMBL7127106 0.83 ALDH1A1 (0.54) RAB9ASMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL7126960 0.79 CA1 (0.42) LMNAMAPT
SCHEMBL7133297 0.78 ABCB1 (0.39) SMN1; SMN2CYP11B1CYP11B2LMNAMAPT
SCHEMBL7246751 0.78 NOTUM (0.55) MEN1ALDH1A1LMNAHPGDKMT2A
SCHEMBL7129966 0.78 CYP11B1 (0.43) CYP11B1CYP11B2
SCHEMBL7164804 0.77 PDE4A (0.39) CYP11B1CYP11B2
SCHEMBL7132097 0.77 HTR1A (0.42) CYP11B1CYP11B2SGMS2LRRK2ALDH1A1
SCHEMBL7131293 0.77 CYP19A1 (0.40) RAB9ASMN1; SMN2CYP11B1CYP11B2MEN1

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 SIRT2 4240/4885SIRT1 3617/4885SIRT3 4549/4885

“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.