SCHEMBL7158596

SCHEMBL7158596

O=S1(=O)CC(Sc2ccccc2)c2c(OCc3cccnc3)ccc(OCc3cccnc3)c21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.42
DRD2 P14416 2/20 0.42
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 3/20 0.40
CYP19A1 P11511 2/20 0.40
LMNA P02545 1/20 0.39
IKBKB O14920 1/20 0.38
SLC6A4 P31645 1/20 0.38
PRKDC P78527 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
TRPM5 Q9NZQ8 1/20 0.36
LRRK2 Q5S007 3/20 0.36
HTR6 P50406 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
BRD4 O60885 1/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
SGMS2 Q8NHU3 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
SCHEMBL7158595 0.88 HTR1A (0.42) HTR1ADRD2CYP11B1CYP11B2CYP19A1
SCHEMBL7124904 0.87 HTR1A (0.44) HTR1ADRD2CYP11B1CYP11B2CYP19A1
SCHEMBL7128603 0.87 HTR1A (0.44) HTR1ADRD2CYP11B1CYP11B2CYP19A1
SCHEMBL7158719 0.78 HTR1A (0.41) HTR1ADRD2CYP11B1CYP11B2CYP19A1
SCHEMBL7124900 0.78 HTR1A (0.44) HTR1ADRD2CYP11B1CYP11B2CYP19A1
SCHEMBL7133226 0.77 CYP11B1 (0.41) HTR1ADRD2CYP11B1CYP11B2CYP19A1
SCHEMBL7130546 0.76 BRD4 (0.42) LMNAIKBKBALDH1A1BRD4
SCHEMBL7128597 0.76 HTR1A (0.44) HTR1ADRD2CYP11B1CYP11B2CYP19A1
SCHEMBL7128431 0.76 CYP11B1 (0.42) CYP11B1CYP11B2CYP19A1
SCHEMBL7135165 0.76 BRD4 (0.43) BRD4

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 HTR1A 4841/4885DRD2 4880/4885CYP11B1 246/4885

“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.