SCHEMBL7129913

SCHEMBL7129913

O=C(NCCN1CCCCC1)c1cccc2c1C(S(=O)(=O)c1ccc([N+](=O)O)cc1)CS2([O-])O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CA9 Q16790 3/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ERN1 O75460 1/20 0.36
CCR2 P41597 1/20 0.36
METAP2 P50579 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 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
SCHEMBL7129897 0.86 LMNA (0.43) POLBSMN1; SMN2CA9CA12CA1
SCHEMBL7129902 0.85 LMNA (0.43) POLBSMN1; SMN2CA9CA12CA1
SCHEMBL7132006 0.82 POLB (0.45) POLBSMN1; SMN2CA9CA12CA1
SCHEMBL7134116 0.81 POLB (0.43) POLBSMN1; SMN2CA9CA1CA2
SCHEMBL7129151 0.81 ALDH1A1 (0.41) POLBSMN1; SMN2CA1CA2METAP2
SCHEMBL7132009 0.81 POLB (0.45) POLBSMN1; SMN2CA9CA12CA1
SCHEMBL7134119 0.79 POLB (0.43) POLBSMN1; SMN2CA9CA1CA2
SCHEMBL7132366 0.77 SMYD2 (0.43) POLBSMN1; SMN2CYP1A2CYP2D6MEN1
Hydrochloric Acid SCHEMBL7160027 0.77 BDKRB1 (0.42) POLBSMN1; SMN2CYP1A2CYP2D6MEN1
SCHEMBL7129722 0.76 SMYD2 (0.43) POLBSMN1; SMN2MEN1KMT2AALDH1A1

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 POLB 4703/4885SMN1; SMN2 527/4885CA9 3056/4885

“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.