SCHEMBL7129151

SCHEMBL7129151

O=C(NCc1ccc([N+](=O)O)cc1)c1cccc2c1C(S(=O)(=O)c1ccccc1)CS2([O-])O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA2 P00918 4/20 0.38
CA1 P00915 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.37
APEX1 P27695 1/20 0.37
POLB P06746 1/20 0.36
CA4 P22748 1/20 0.36
NAMPT P43490 1/20 0.36
MAPK1 P28482 1/20 0.36
METAP2 P50579 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
SCHEMBL7129144 0.85 CA2 (0.46) ALDH1A1GAAHSD17B10CA2SMN1; SMN2
SCHEMBL7136033 0.84 CA1 (0.33) ALDH1A1GAAHSD17B10CA2CA1
Hydrochloric Acid SCHEMBL7126785 0.84 CA1 (0.34) ALDH1A1GAAHSD17B10CA2CA1
SCHEMBL7129146 0.84 CA2 (0.46) ALDH1A1GAAHSD17B10CA2SMN1; SMN2
SCHEMBL7124771 0.81 GAA (0.47) ALDH1A1GAAHSD17B10CA2CA1
SCHEMBL7129913 0.81 POLB (0.40) ALDH1A1GAACA2CA1HTT
SCHEMBL7132676 0.80 MEN1 (0.35) SMN1; SMN2MAPT
SCHEMBL7124773 0.80 GAA (0.47) ALDH1A1GAAHSD17B10CA2CA1
SCHEMBL7128575 0.77 MAPK1 (0.46) ALDH1A1GAAHSD17B10CA2HTT
SCHEMBL7128579 0.76 MAPK1 (0.46) ALDH1A1GAAHSD17B10CA2HTT

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-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 ALDH1A1 3159/4885GAA 3518/4885HSD17B10 2541/4885

“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.