SCHEMBL7067241

SCHEMBL7067241

COc1c(C=O)ccc2sccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CYP2A6 P11509 4/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
MCL1 Q07820 1/20 0.38
ERN1 O75460 2/20 0.36
ALDH1A1 P00352 3/20 0.36
TRIM24 O15164 1/20 0.35
TYR P14679 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
TUBB4A P04350 2/20 0.34
TUBB P07437 2/20 0.34
TUBA3C P0DPH7 2/20 0.34
TUBA1B P68363 2/20 0.34
TUBA4A P68366 2/20 0.34
TUBB4B P68371 2/20 0.34
TUBB3 Q13509 2/20 0.34
TUBB2A Q13885 2/20 0.34
TUBB8 Q3ZCM7 2/20 0.34

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
SCHEMBL6975978 0.77 CYP2A6 (0.44) CYP2A6ERN1ALDH1A1MAPTKDM4E
SCHEMBL29729025 0.74 CA1 (0.59) CA1CA2CYP2A6MCL1ERN1
SCHEMBL3345839 0.74 CA1 (0.59) CA1CA2CYP2A6MCL1ERN1
SCHEMBL7068978 0.74 ESR1 (0.44) CA1CA2ALDH1A1MAPTMEN1
SCHEMBL7068982 0.74 ESR1 (0.44) CA1CA2ALDH1A1MAPTMEN1
SCHEMBL4444860 0.74 CYP2A6 (0.44) CYP2A6ERN1ALDH1A1MAPTKDM4E
SCHEMBL10372067 0.74 SLC6A2 (0.42) SLC6A2SLC6A4ALDH1A1TUBB4ATUBB
SCHEMBL6973728 0.73 CYP2A6 (0.43) CYP2A6ALDH1A1MAPTKDM4EMEN1
SCHEMBL4803640 0.73 SLC6A2 (0.41) SLC6A2SLC6A4ALDH1A1TUBB4ATUBB
SCHEMBL31280833 0.73 CYP2A6 (0.43) CYP2A6ERN1

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-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 CA1 2040/4885CA2 3155/4885CYP2A6 284/4885

“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.