SCHEMBL7129842

SCHEMBL7129842

Nc1ccc(CNCc2cccc3c2C(S(=O)(=O)c2ccccc2)CS3(=O)=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.36
CA2 P00918 7/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTR6 P50406 1/20 0.33
CA9 Q16790 6/20 0.32
CA12 O43570 5/20 0.32
CA4 P22748 3/20 0.32
MAPT P10636 1/20 0.31
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA5B Q9Y2D0 1/20 0.30
KEAP1 Q14145 1/20 0.30
PKM P14618 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP19A1 P11511 1/20 0.30
PRMT1 Q99873 1/20 0.30
SLC6A5 Q9Y345 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
SCHEMBL7132604 0.92 CA1 (0.37) CA1CA2SMN1; SMN2NPSR1CA9
SCHEMBL7128692 0.91 CA2 (0.49) CA1CA2CA9CA12CA4
SCHEMBL7128520 0.90 SMN1; SMN2 (0.38) CA1CA2SMN1; SMN2NPSR1HTR6
SCHEMBL7123801 0.90 RAB9A (0.36) CA1CA2SMN1; SMN2NPSR1CA9
Hydrochloric Acid SCHEMBL7154721 0.89 CA1 (0.36) CA1CA2SMN1; SMN2NPSR1CA9
SCHEMBL7129838 0.89 CA2 (0.36) CA1CA2SMN1; SMN2NPSR1HTR6
SCHEMBL7130630 0.88 CA1 (0.32) CA1CA2CA9MAPT
SCHEMBL7136031 0.86 HTR6 (0.38) CA1CA2HTR6CA12CA4
Hydrochloric Acid SCHEMBL7126775 0.85 HTR6 (0.38) CA1CA2HTR6CA12CA4
SCHEMBL7130587 0.85 L3MBTL1 (0.37) SMN1; SMN2NPSR1CA9CA12KDM4E

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 CA1 2040/4885CA2 3155/4885SMN1; SMN2 527/4885

“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.