SCHEMBL7134176

SCHEMBL7134176

CN(CC#N)CCCOc1cccc2c1C(S(=O)(=O)c1ccccc1)CS2(O)O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.35
KDM1A O60341 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
MAOA P21397 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
LMNA P02545 1/20 0.32
LTA4H P09960 2/20 0.31
HTR6 P50406 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTR1A P08908 2/20 0.31
HTR7 P34969 2/20 0.31
CACNA1H O95180 1/20 0.30
CACNA1B Q00975 1/20 0.30

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
SCHEMBL7134174 0.90 MAOB (0.33) MAOBKDM1AL3MBTL1MAOAHDAC1
SCHEMBL7130672 0.87 KDM4E (0.41) HTR1BKDM4EHTR7CACNA1HCACNA1B
SCHEMBL7131947 0.84 ALDH1A1 (0.44) HTR1BLMNAHTR6KDM4EHTR7
SCHEMBL7129823 0.84 MAOB (0.39) MAOBKDM1ALTA4HKDM4E
SCHEMBL7132534 0.83 MEN1 (0.35) LMNAHTR1AHTR7
SCHEMBL7127764 0.82 HTR1A (0.35) LMNAHTR6KDM4EHTR1AHTR7
SCHEMBL7126734 0.81 HTR1B (0.36) HTR1BHTR1AHTR7
SCHEMBL7125660 0.81 KCNA3 (0.40) MAOBL3MBTL1LMNAHTR1AHTR7
Hydrochloric Acid SCHEMBL7250173 0.80 HTR1B (0.36) HTR1BKDM4EHTR1AHTR7
SCHEMBL7132422 0.80 TP53 (0.37) HTR1BKDM4EHTR1AHTR7

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 MAOB 4742/4885KDM1A 2450/4885L3MBTL1 2967/4885

“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.