SCHEMBL2763052

SCHEMBL2763052

CC(C)(C)OC(=O)Nc1ccc2c(c1)Cc1cccc(S(=O)(=O)C(F)(F)F)c1S2

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 4/20 0.38
MMP3 P08254 2/20 0.38
ATM Q13315 1/20 0.38
RORC P51449 10/20 0.37
NR1I3 Q14994 3/20 0.36
RXFP1 Q9HBX9 1/20 0.36
GPER1 Q99527 1/20 0.36

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
SCHEMBL13376023 0.86 MMP8 (0.38) MMP8MMP3ATMRORCNR1I3
SCHEMBL2762684 0.86 ATM (0.41) ATMNR1I3
SCHEMBL3173494 0.83 ATM (0.40) MMP8MMP3ATMNR1I3
SCHEMBL5773768 0.78 ATM (0.39) MMP8MMP3ATMNR1I3
SCHEMBL3165587 0.76 ATM (0.38) ATMNR1I3
SCHEMBL29973632 0.70 CA1 (0.43) MMP8MMP3RORCRXFP1
SCHEMBL25526833 0.70 CA1 (0.43) MMP8MMP3RORCRXFP1
SCHEMBL1114945 0.69 RAB9A (0.56) MMP8MMP3NR1I3
SCHEMBL3005279 0.69 CYP1A2 (0.66)
SCHEMBL27597023 0.68 ATM (0.43) ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1485377-B9 PYRANONES USEFUL AS ATM INHIBITORS KUDOS PHARM LTD (GB) 2010-10-06 EP disclosed
EP-2174939-A1 Pyranones useful as ATM inhibitors Kudos Pharmaceuticals Limited (GB) 2010-04-14 EP disclosed
EP-1485377-B1 PYRANONES USEFUL AS ATM INHIBITORS KUDOS PHARM LTD (GB) 2009-12-09 EP disclosed
US-7049313-B2 ATM inhibitors KUDOS PHARMACEUTICALS LTD. (GB) 2006-05-23 US disclosed
EP-1485377-A1 PYRANONES USEFUL AS ATM INHIBITORS Kudos Pharmaceuticals Limited (GB) 2004-12-15 EP disclosed
US-20040002492-A1 Induce immunology response; anticancer agents KUDOS PHARMACEUTICALS LTD (GB) 2004-01-01 US disclosed
WO-2003070726-A1 PYRANONES USEFUL AS ATM INHIBITORS KUDOS PHARMACEUTICALS LTD (GB) 2003-08-28 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-20040002492-A1 Induce immunology response; anticancer agents MYD88, IFNG, HCCS MMP8 3248/4885MMP3 4632/4885ATM 741/4885

“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.