SCHEMBL7124904

SCHEMBL7124904

O=S1(=O)CC(Sc2ccccc2)c2c(OCc3cccnc3)cccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.44
DRD2 P14416 2/20 0.44
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
CYP19A1 P11511 2/20 0.39
HTR6 P50406 1/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
IKBKB O14920 1/20 0.38
MGLL Q99685 1/20 0.37
BRD4 O60885 1/20 0.37
SGMS2 Q8NHU3 1/20 0.37
LMNA P02545 5/20 0.37
SLC1A5 Q15758 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.36
GFER P55789 1/20 0.36
MAPK1 P28482 1/20 0.36
TRPM5 Q9NZQ8 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
SCHEMBL7133226 0.90 CYP11B1 (0.41) HTR1ADRD2CYP11B1CYP11B2CYP19A1
SCHEMBL7133251 0.89 MAPT (0.42) HTR1ADRD2BRD4HTTMAPK1
SCHEMBL7128431 0.89 CYP11B1 (0.42) CYP11B1CYP11B2CYP19A1
SCHEMBL7131481 0.89 ABCB1 (0.40) HTR1ACYP11B1CYP11B2CYP19A1ALDH1A1
SCHEMBL7124900 0.88 HTR1A (0.44) HTR1ADRD2CYP11B1CYP11B2CYP19A1
SCHEMBL7122877 0.88 HTR1A (0.39) HTR1ADRD2CYP11B1CYP11B2CYP19A1
SCHEMBL7158596 0.87 HTR1A (0.42) HTR1ADRD2CYP11B1CYP11B2CYP19A1
SCHEMBL7128603 0.84 HTR1A (0.44) HTR1ADRD2CYP11B1CYP11B2CYP19A1
SCHEMBL7126999 0.82 SYK (0.41) HTR1ADRD2BRD4SLC1A5
SCHEMBL7126222 0.81 MEN1 (0.47) HTR1ACYP11B1CYP11B2CYP19A1ALDH1A1

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 6 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-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.