SCHEMBL5741906

SCHEMBL5741906

CC=C(C)COS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.50
CTDSP1 Q9GZU7 1/20 0.44
SIRT5 Q9NXA8 1/20 0.44
CYP2D6 P10635 1/20 0.42
TLR9 Q9NR96 1/20 0.41
DHODH Q02127 1/20 0.41
GAA P10253 2/20 0.41
PKM P14618 1/20 0.40
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL5741905 1.00 STAT3 (0.50) STAT3CTDSP1SIRT5CYP2D6TLR9
SCHEMBL10458162 0.84 STAT3 (0.54) STAT3CTDSP1SIRT5CYP2D6TLR9
SCHEMBL4727494 0.82 STAT3 (0.56) STAT3CTDSP1SIRT5GAAPKM
SCHEMBL15625927 0.81 PTGS2 (0.42) ALDH1A1CA1CA2MMP1KMT2A
Water SCHEMBL2978476 0.81 STAT3 (0.55) STAT3CTDSP1SIRT5GAAPKM
SCHEMBL5870519 0.81 STAT3 (0.51) STAT3CTDSP1SIRT5CYP2D6DHODH
SCHEMBL26713425 0.81 STAT3 (0.43) STAT3CTDSP1SIRT5CYP2D6TLR9
SCHEMBL7342597 0.80 STAT3 (0.57) STAT3CTDSP1SIRT5CYP2D6GAA
SCHEMBL10176520 0.79 STAT3 (0.42) STAT3CTDSP1SIRT5CYP2D6TLR9
SCHEMBL1994912 0.79 STAT3 (0.60) STAT3CTDSP1SIRT5GAAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358183-B1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2006-04-12 EP disclosed
US-20050070598-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2005-03-31 US disclosed
US-20050020588-A1 Cysteine protease inhibitors PEPTIMMUNE, INC. 2005-01-27 US disclosed
US-20040229915-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2004-11-18 US disclosed
EP-1413580-A1 Furanone derivatives as inhibitors of Cathepsin S Medivir UK Ltd (GB) 2004-04-28 EP disclosed
EP-1178986-B1 FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S MEDIVIR UK LTD (GB) 2004-02-25 EP disclosed
EP-1358183-A2 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2003-11-05 EP disclosed
US-20030203900-A1 Cysteine protease inhibitors MEDIVIR UK LTD (GB) 2003-10-30 US disclosed
US-20030186962-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2003-10-02 US disclosed
EP-1345931-A2 CYSTEINE PROTEASE INHIBITORS Medivir UK Ltd (GB) 2003-09-24 EP disclosed
US-20030171434-A1 Branched amino acids MEDIVIR UK LIMITED (GB) 2003-09-11 US disclosed
WO-2002088106-A2 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2002-11-07 WO disclosed
WO-2002040462-A2 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LIMITED (GB) 2002-05-23 WO disclosed
EP-1178986-A2 FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S Medivir UK Ltd (GB) 2002-02-13 EP disclosed
WO-2000069855-A2 FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S MEDIVIR UK LIMITED (GB) 2000-11-23 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 (6 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-20030186962-A1 Cysteine protease inhibitors C1R, CTSS, CTSZ STAT3 4642/4885CTDSP1 2441/4885SIRT5 2652/4885
US-20050070598-A1 Cysteine protease inhibitors CTRL, CTSZ, CTSS STAT3 4570/4885CTDSP1 2676/4885SIRT5 2085/4885
US-20050020588-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV STAT3 3307/4885CTDSP1 1999/4885SIRT5 1072/4885
US-20040229915-A1 Cysteine protease inhibitors C1R, CTRL, CTSK STAT3 4664/4885CTDSP1 2490/4885SIRT5 3480/4885
US-20030203900-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV STAT3 3307/4885CTDSP1 1999/4885SIRT5 1072/4885
US-20030171434-A1 Branched amino acids BCAT1, BCAT2, ANPEP STAT3 2243/4885CTDSP1 3080/4885SIRT5 3534/4885

“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.