SCHEMBL6161452

SCHEMBL6161452

Nc1cccc(S(=O)(=O)NCC(=O)OCc2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.59
PKM P14618 1/20 0.58
CYP19A1 P11511 1/20 0.56
MAPT P10636 4/20 0.51
CASP1 P29466 1/20 0.48
POLB P06746 2/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 6/20 0.47
NPSR1 Q6W5P4 1/20 0.46
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.45
ADAMTS4 O75173 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
MMP14 P50281 1/20 0.44
ADAM17 P78536 1/20 0.44
ADAMTS5 Q9UNA0 1/20 0.44
KAT6A Q92794 1/20 0.44

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
SCHEMBL7471734 0.87 PKM (0.72) PKMMAPTCASP1KDM4EALDH1A1
SCHEMBL8763593 0.81 ALDH1A1 (0.56) PRMT1PKMCYP19A1POLBKDM4E
SCHEMBL6157779 0.81 RAB9A (0.59) PKMCYP19A1POLBMMP1MMP2
SCHEMBL8663048 0.78 ALDH1A1 (0.70) PKMMAPTCASP1KDM4EALDH1A1
SCHEMBL15145818 0.77 ALDH1A1 (0.54) PKMCASP1ALDH1A1LMNAMMP1
SCHEMBL31339948 0.77 CYP19A1 (0.85) PRMT1PKMCYP19A1MAPTPOLB
SCHEMBL5032445 0.77 CYP19A1 (0.85) PRMT1PKMCYP19A1MAPTPOLB
SCHEMBL8489881 0.77 CA1 (0.56) PKMALDH1A1LMNACA1CA2
SCHEMBL6159849 0.76 PLAU (0.48) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL8415273 0.76 KDM4E (0.66) PKMMAPTCASP1POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1178969-B1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2005-07-13 EP disclosed
US-6479531-B1 Gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2002-11-12 US disclosed
EP-1178969-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2002-02-13 EP disclosed
CN-1325385-A Gastrin and cholecystokinin receptor ligands BLACK JAMES FOUNDATION (GB) 2001-12-05 CN disclosed
WO-2000027823-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2000-05-18 WO disclosed