SCHEMBL7130631

SCHEMBL7130631

CCCCOc1c(C(=O)O)ccc2c1C(S(=O)(=O)c1ccccc1)CS2(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
WDR5 P61964 1/20 0.36
KAT6A Q92794 1/20 0.35
S1PR3 Q99500 2/20 0.34
PTPN11 Q06124 2/20 0.34
MAPK8 P45983 1/20 0.34
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
METAP2 P50579 1/20 0.33
ABCB1 P08183 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
PTGS2 P35354 1/20 0.32
POLB P06746 1/20 0.32
PLK1 P53350 1/20 0.32
CA12 O43570 1/20 0.32

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
SCHEMBL7129219 0.96 S1PR3 (0.40) S1PR3PTPN11MAPK8CCNE2CCNE1
SCHEMBL7134746 0.96 S1PR3 (0.40) S1PR3PTPN11MAPK8CCNE2CCNE1
SCHEMBL7130172 0.91 CYP1A2 (0.36) CA9CA1CA2WDR5KAT6A
SCHEMBL7126410 0.91 ALDH1A1 (0.33) CA9CA1CA2WDR5KAT6A
SCHEMBL7130625 0.90 WDR5 (0.36) CA9WDR5KAT6AS1PR3PTPN11
SCHEMBL7127957 0.88 L3MBTL1 (0.47) CA9CA1CA2KAT6AALDH1A1
SCHEMBL7135492 0.88 HDAC3 (0.37) KAT6AS1PR3ABCB1ALDH1A1TSHR
SCHEMBL7133401 0.88 HDAC3 (0.37) KAT6AS1PR3ABCB1ALDH1A1TSHR
SCHEMBL7127475 0.87 HPGD (0.41) ALDH1A1TSHR
SCHEMBL7134743 0.86 S1PR3 (0.40) S1PR3PTPN11MAPK8CCNE2CCNE1

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 CA9 3056/4885CA1 2040/4885CA2 3155/4885

“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.