SCHEMBL7129966

SCHEMBL7129966

O=S1(=O)CC(S(=O)(=O)c2ccccc2)c2c(OCCc3cccnc3)cccc21

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 10/20 0.43
CYP11B2 P19099 10/20 0.43
HTR1A P08908 4/20 0.37
HTR7 P34969 2/20 0.37
CYP19A1 P11511 3/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
DRD2 P14416 2/20 0.35
NAMPT P43490 1/20 0.35

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
SCHEMBL7164804 0.95 PDE4A (0.39) CYP11B1CYP11B2HTR1AHTR7CYP19A1
SCHEMBL7132100 0.90 HTR1A (0.43) CYP11B1CYP11B2HTR1ACYP19A1DRD2
SCHEMBL7129965 0.90 CYP11B1 (0.42) CYP11B1CYP11B2HTR1AHTR7CYP19A1
SCHEMBL7691990 0.89 CYP11B1 (0.41) CYP11B1CYP11B2CYP19A1
SCHEMBL7164800 0.85 FKBP1A (0.42) CYP11B1CYP11B2HTR1AHTR7CYP19A1
SCHEMBL7134215 0.84 CYP11B1 (0.37) CYP11B1CYP11B2CYP19A1PDE4APDE4B
SCHEMBL7246751 0.83 NOTUM (0.55) NAMPT
SCHEMBL7127106 0.83 ALDH1A1 (0.54)
SCHEMBL7126960 0.81 CA1 (0.42) HTR1ACYP19A1DRD2
SCHEMBL7133297 0.81 ABCB1 (0.39) CYP11B1CYP11B2HTR1ACYP19A1

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 4 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

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 CYP11B1 246/4885CYP11B2 384/4885HTR1A 4841/4885

“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.