SCHEMBL7126742

SCHEMBL7126742

O=S(=O)(c1ccccc1)C1CS(O)(O)c2cc(OCCN3CCOCC3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
LTA4H P09960 1/20 0.45
HTR1A P08908 5/20 0.45
HTR7 P34969 5/20 0.45
FGFR1 P11362 1/20 0.45
SRC P12931 1/20 0.45
PSMB1 P20618 1/20 0.44
PSMB5 P28074 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MCHR1 Q99705 1/20 0.43
ESR1 P03372 2/20 0.43

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
SCHEMBL7126744 0.90 CA12 (0.47) KDM4ETP53TSHRCA12CA1
SCHEMBL7162617 0.89 CA12 (0.54) KDM4ECA12CA1CA2CA7
SCHEMBL7123146 0.83 PPARD (0.45) HTR1AHTR7
SCHEMBL7130847 0.82 KAT6A (0.38) KDM4EHTR1AHTR7FGFR1SRC
SCHEMBL7135473 0.82 ITGB3 (0.42) LTA4HHTR1AHTR7FGFR1ESR1
SCHEMBL7129812 0.81 KAT6A (0.37) KDM4EHTR1AHTR7
SCHEMBL7130348 0.81 ITGB3 (0.39) CA12CA1CA2CA9HTR1A
Hydrochloric Acid SCHEMBL7160727 0.81 ITGB3 (0.42) LTA4HHTR1AHTR7FGFR1ESR1
Hydrochloric Acid SCHEMBL7159041 0.80 ITGB3 (0.38) HTR1AHTR7
SCHEMBL7162622 0.80 CA12 (0.55) CA12CA1CA2CA7CA9

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 KDM4E 1111/4885TP53 169/4885TSHR 662/4885

“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.