SCHEMBL7128431

SCHEMBL7128431

O=S1(=O)CC(Sc2ccccc2)c2c(OCCCc3cccnc3)cccc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.42
CYP11B2 P19099 6/20 0.42
CYP19A1 P11511 4/20 0.42
CHRNA7 P36544 1/20 0.39
PTAFR P25105 1/20 0.38
NMT2 O60551 2/20 0.37
NMT1 P30419 2/20 0.37
SERPINE1 P05121 1/20 0.37
ABL1 P00519 2/20 0.36
EGFR P00533 2/20 0.36
FLT1 P17948 2/20 0.36
KDR P35968 2/20 0.36
SRC P12931 1/20 0.36
SYK P43405 1/20 0.36
FKBP1A P62942 1/20 0.35
IDO1 P14902 1/20 0.35
REN P00797 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL7133226 0.95 CYP11B1 (0.41) CYP11B1CYP11B2CYP19A1NMT2NMT1
SCHEMBL7124904 0.89 HTR1A (0.44) CYP11B1CYP11B2CYP19A1
SCHEMBL7128427 0.89 CYP11B1 (0.42) CYP11B1CYP11B2CYP19A1CHRNA7PTAFR
SCHEMBL7695621 0.84 CYP11B1 (0.41) CYP11B1CYP11B2CYP19A1IDO1
SCHEMBL7133224 0.83 CYP11B1 (0.42) CYP11B1CYP11B2CYP19A1NMT2NMT1
SCHEMBL7130056 0.81 SERPINE1 (0.43) CYP11B1CYP11B2CYP19A1CHRNA7PTAFR
SCHEMBL7132933 0.80 KCNA3 (0.37) L3MBTL1
SCHEMBL7131556 0.80 MEN1 (0.34) L3MBTL1
SCHEMBL7133251 0.80 MAPT (0.42) TDP1L3MBTL1
SCHEMBL7164804 0.80 PDE4A (0.39) CYP11B1CYP11B2CYP19A1CHRNA7PTAFR

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 CYP11B1 246/4885CYP11B2 384/4885CYP19A1 1327/4885

“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.