SCHEMBL3249872

SCHEMBL3249872

COC(=O)Cc1cccc(S(C)(=O)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSG P08311 1/20 0.53
CMA1 P23946 1/20 0.53
SLC7A5 Q01650 1/20 0.51
ALDH1A1 P00352 2/20 0.50
GAA P10253 2/20 0.50
HSD17B10 Q99714 1/20 0.50
GFER P55789 1/20 0.46
GLS O94925 1/20 0.46
HSP90AB1 P08238 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
ADRA1D P25100 1/20 0.43
DGAT2 Q96PD7 1/20 0.43
LMNA P02545 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
GRM2 Q14416 1/20 0.41

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
SCHEMBL12750998 0.88 CTSG (0.51) CTSGCMA1SLC7A5ALDH1A1GAA
SCHEMBL2768397 0.86 CTSG (0.52) CTSGCMA1SLC7A5ALDH1A1GAA
SCHEMBL4873552 0.84 SIRT2 (0.48) ALDH1A1GAAHSD17B10GLSSMN1; SMN2
SCHEMBL9026247 0.84 PTGS1 (0.45) ALDH1A1GAAHSD17B10GLSSMN1; SMN2
SCHEMBL12400239 0.82 SLC7A5 (0.68) CTSGCMA1SLC7A5ALDH1A1GAA
SCHEMBL2767340 0.82 CTSG (0.49) CTSGCMA1SLC7A5ALDH1A1GAA
SCHEMBL12984975 0.81 ALDH1A1 (0.50) ALDH1A1GAAHSD17B10GLSSMN1; SMN2
SCHEMBL335277 0.81 ALDH1A1 (0.54) ALDH1A1GAAHSD17B10GLSSMN1; SMN2
SCHEMBL48506 0.81 ALDH1A1 (0.50) ALDH1A1GAAHSD17B10GLSSMN1; SMN2
SCHEMBL5051584 0.81 CTSG (0.48) CTSGCMA1SLC7A5ALDH1A1GAA

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
US-20120149718-A1 Amido Compounds BROTHERTON-PLEISS CHRISTINE E (US) 2012-06-14 US disclosed
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
EP-1558607-B1 COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES VERTEX PHARMA (US) 2010-05-05 EP disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
US-7514448-B2 Azaindoles useful as inhibitors of rock and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-04-07 US disclosed
EP-1756108-A2 AZAINDOLES USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2007-02-28 EP disclosed
US-7157476-B2 Aminofurazan compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-01-02 US disclosed
EP-1660467-A2 AMINOFURAZAN COMPOUNDS AS PROTEIN KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2006-05-31 EP disclosed
US-20060003968-A1 Azaindoles useful as inhibitors of rock and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2006-01-05 US disclosed
WO-2005103050-A2 AZAINDOLES USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-11-03 WO disclosed
EP-1558607-A1 COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2005-08-03 EP disclosed
US-20050148640-A1 Aminofurazan compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2005-07-07 US disclosed
WO-2005019190-A2 (4 -AMINO -1,2, 5-OXADIAZOL-4-YL) -HETΞROAROMATIC COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-03-03 WO disclosed
US-20040122016-A1 Compositions useful as inhibitors of rock and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2004-06-24 US disclosed
WO-2004041813-A1 COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-05-21 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 (5 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-20050148640-A1 Aminofurazan compounds useful as protein kinase inhibitors PHKG1, MAP3K20, MAP3K5 CTSG 3200/4885CMA1 1248/4885SLC7A5 1647/4885
US-20040122016-A1 Compositions useful as inhibitors of rock and other protein kinases ROCK1, ROCK2, PRKCH CTSG 1694/4885CMA1 1109/4885SLC7A5 4471/4885
US-20060003968-A1 Azaindoles useful as inhibitors of rock and other protein kinases ROCK2, ROCK1, TNK2 CTSG 3186/4885CMA1 1388/4885SLC7A5 4028/4885
US-20120149718-A1 Amido Compounds P2RX7, P2RX3, P2RX2 CTSG 1932/4885CMA1 3192/4885SLC7A5 1243/4885
US-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 CTSG 1018/4885CMA1 613/4885SLC7A5 2288/4885

“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.