SCHEMBL4873552

SCHEMBL4873552

COC(=O)CCc1cccc(S(C)(=O)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PTPN1 P18031 2/20 0.47
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
CA7 P43166 1/20 0.47
CA14 Q9ULX7 1/20 0.47
GRM2 Q14416 2/20 0.45
GRM3 Q14832 2/20 0.45
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
IDO1 P14902 1/20 0.43
BRD4 O60885 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TBXAS1 P24557 1/20 0.42
GLS O94925 1/20 0.42
CA1 P00915 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
SCHEMBL5746476 0.87 SIRT2 (0.47) SIRT2ALDH1A1PTPN1CA12CA9
SCHEMBL3249872 0.84 CTSG (0.53) ALDH1A1GAAHSD17B10GRM2GRM3
SCHEMBL28328074 0.84 TSHR (0.45) ALDH1A1GAAHSD17B10GRM2GRM3
SCHEMBL28270681 0.83 LMNA (0.55) ALDH1A1GAAHSD17B10GRM2GRM3
SCHEMBL13667982 0.83 KEAP1 (0.53) ALDH1A1GAAHSD17B10GRM2GRM3
SCHEMBL29976027 0.81 GRM2 (0.50) ALDH1A1GAAHSD17B10GRM2GRM3
SCHEMBL13055884 0.81 IDO1 (0.57) ALDH1A1GAACA12CA9CA7
SCHEMBL22838021 0.79 ALDH1A1 (0.37) SIRT2ALDH1A1GAAHSD17B10PTPN1
SCHEMBL23665688 0.78 SIRT2 (0.45) SIRT2ALDH1A1PTPN1CA12CA9
SCHEMBL5043619 0.78 CYP19A1 (0.58) ALDH1A1CA12CA9CA7CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608365-B1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE R TECH UENO LTD (JP) 2013-10-02 EP disclosed
CN-1794988-B Composition for treating vascular hyperpermeable disease SUCAMPO AG 2010-07-28 CN disclosed
US-7442715-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2008-10-28 US disclosed
US-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2008-05-22 US disclosed
US-20060276521-A1 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-12-07 US disclosed
US-7125901-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-10-24 US disclosed
US-20060229346-A1 Method for treating vascular hyperpermeable disease SUCAMPO AG (CH) 2006-10-12 US disclosed
CN-1794988-A Method for treating vascular hyperpermeable disease SUCAMPO AG (CH) 2006-06-28 CN disclosed
US-20060128770-A1 Thiazole derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2006-06-15 US disclosed
EP-1608365-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE Sucampo AG (CH) 2005-12-28 EP disclosed
EP-1587800-A1 THIAZOLE DERIVATIVES AND THEIR USE AS VAP-1 INHIBITORS Astellas Pharma Inc. (JP) 2005-10-26 EP disclosed
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-12-23 US disclosed
WO-2004087138-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2004-10-14 WO disclosed
WO-2004067521-A1 THIAZOLE DERIVATIVES AND THEIR USE AS VAP-1 INHIBITORS ASTELLAS PHARMA INC. (JP) 2004-08-12 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-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE VCAM1, ICAM1, VAPB SIRT2 1726/4885ALDH1A1 927/4885GAA 1570/4885
US-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 SIRT2 2496/4885ALDH1A1 930/4885GAA 4431/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 SIRT2 784/4885ALDH1A1 260/4885GAA 2111/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 SIRT2 2496/4885ALDH1A1 930/4885GAA 4431/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB SIRT2 3434/4885ALDH1A1 1690/4885GAA 3775/4885

“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.