SCHEMBL4586320

SCHEMBL4586320

Nc1ccccc1S(=O)(=O)c1ccccc1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.67
▸ HTR6 P50406 1/20 0.58
▸ MMP2 P08253 2/20 0.53
▸ CA1 P00915 2/20 0.53
▸ CA2 P00918 2/20 0.53
▸ MMP1 P03956 1/20 0.53
▸ MMP9 P14780 1/20 0.53
▸ MMP8 P22894 1/20 0.53
▸ MMP13 P45452 1/20 0.53
▸ F2 P00734 3/20 0.53
▸ PRSS1 P07477 3/20 0.53
▸ PRSS2 P07478 3/20 0.53
▸ PRSS3 P35030 3/20 0.53
▸ TSHR P16473 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ POLB P06746 1/20 0.49
▸ CDC25B P30305 1/20 0.49
▸ CA12 O43570 3/20 0.48
▸ CA9 Q16790 3/20 0.48
▸ CYP2C9 P11712 1/20 0.48

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
SCHEMBL989207 0.88 CA1 (0.64) MMP2CA1CA2MMP1MMP9
SCHEMBL11348903 0.88 CA1 (0.64) MMP2CA1CA2MMP1MMP9
SCHEMBL30444901 0.88 CA1 (0.64) MMP2CA1CA2MMP1MMP9
SCHEMBL9132217 0.86 CA1 (0.62) MMP2CA1CA2MMP1MMP9
SCHEMBL9133243 0.86 CA1 (0.62) MMP2CA1CA2MMP1MMP9
SCHEMBL9133026 0.86 CA1 (0.62) MMP2CA1CA2MMP1MMP9
SCHEMBL9135099 0.86 CA1 (0.62) MMP2CA1CA2MMP1MMP9
SCHEMBL9132788 0.86 CA1 (0.62) MMP2CA1CA2MMP1MMP9
SCHEMBL9134117 0.86 CA1 (0.62) MMP2CA1CA2MMP1MMP9
SCHEMBL9134578 0.86 CA1 (0.62) MMP2CA1CA2MMP1MMP9

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1565448-A4 METHOD OF PREPARING 10H-DIBENZO b,f 1,4 THIAZEPIN-11-ONE SK HOLDINGS CO LTD (KR) 2008-04-23 — — EP claimed
US-7214793-B2 Method of preparing 10H-dibenzo[b,f][11,4]thiazepin-11-one SK CORPORATION (KR) 2007-05-08 — — US claimed
US-20070066589-A1 Reacting dithiodisalicylic acid with 1-chloro-2-nitrobenzene in a basic aqueous solution; reducing the nitro group of the 2-(2-nitrophenylthio)benzoic acid formed with hydrogen gas, a solvent and a heterogeneous metal catalyst; and cyclizing the product in an organic solvent SK BIOTEK CO., LTD. (KR) 2007-03-22 — — US claimed
EP-1565448-A2 METHOD OF PREPARING 10H-DIBENZO b,f 1,4 THIAZEPIN-11-ONE SK Corporation (KR) 2005-08-24 — — EP claimed
WO-2004047722-A2 METHOD OF PREPARING 10H-DIBENZO[b,f][1,4]THIAZEPIN-11-ONE SK CORPORATION (KR) 2004-06-10 — — WO claimed
EP-1565448-A4 METHOD OF PREPARING 10H-DIBENZO b,f 1,4 THIAZEPIN-11-ONE SK HOLDINGS CO LTD (KR) 2008-04-23 — — EP disclosed
EP-1565448-A4 METHOD OF PREPARING 10H-DIBENZO b,f 1,4 THIAZEPIN-11-ONE SK HOLDINGS CO LTD (KR) 2008-04-23 — — EP disclosed
US-7214793-B2 Method of preparing 10H-dibenzo[b,f][11,4]thiazepin-11-one SK CORPORATION (KR) 2007-05-08 — — US disclosed
US-7214793-B2 Method of preparing 10H-dibenzo[b,f][11,4]thiazepin-11-one SK CORPORATION (KR) 2007-05-08 — — US disclosed
US-20070066589-A1 Reacting dithiodisalicylic acid with 1-chloro-2-nitrobenzene in a basic aqueous solution; reducing the nitro group of the 2-(2-nitrophenylthio)benzoic acid formed with hydrogen gas, a solvent and a heterogeneous metal catalyst; and cyclizing the product in an organic solvent SK BIOTEK CO., LTD. (KR) 2007-03-22 — — US disclosed
US-20070066589-A1 Reacting dithiodisalicylic acid with 1-chloro-2-nitrobenzene in a basic aqueous solution; reducing the nitro group of the 2-(2-nitrophenylthio)benzoic acid formed with hydrogen gas, a solvent and a heterogeneous metal catalyst; and cyclizing the product in an organic solvent SK BIOTEK CO., LTD. (KR) 2007-03-22 — — US disclosed
EP-1565448-A2 METHOD OF PREPARING 10H-DIBENZO b,f 1,4 THIAZEPIN-11-ONE SK Corporation (KR) 2005-08-24 — — EP disclosed
EP-1565448-A2 METHOD OF PREPARING 10H-DIBENZO b,f 1,4 THIAZEPIN-11-ONE SK Corporation (KR) 2005-08-24 — — EP disclosed
WO-2004047722-A8 METHOD OF PREPARING 10H-DIBENZO[b,f][1,4]THIAZEPIN-11-ONE SK CORP (KR) 2005-07-21 — — WO disclosed
WO-2004047722-A3 METHOD OF PREPARING 10H-DIBENZO[b,f][1,4]THIAZEPIN-11-ONE SK CORP (KR) 2004-12-02 — — WO disclosed
WO-2004047722-A2 METHOD OF PREPARING 10H-DIBENZO[b,f][1,4]THIAZEPIN-11-ONE SK CORPORATION (KR) 2004-06-10 — — WO disclosed
WO-2004047722-A2 METHOD OF PREPARING 10H-DIBENZO[b,f][1,4]THIAZEPIN-11-ONE SK CORPORATION (KR) 2004-06-10 — — WO 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-20070066589-A1 Reacting dithiodisalicylic acid with 1-chloro-2-nitrobenzene in a basic aqueous solution; reducing the nitro group of the 2-(2-nitrophenylthio)benzoic acid formed with hydrogen gas, a solvent and a heterogeneous metal catalyst; and cyclizing the product in an organic solvent PTGS1, PTGS2, CA2 GAA 3512/4885HTR6 1296/4885MMP2 3053/4885

“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.

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