Sugi Predict

Sugi Predict / Compounds / SCHEMBL2247280

SCHEMBL2247280

SCHEMBL2247280

CC(C)(Cc1ccc(F)cc1)N[C@@H](CCC(N)=O)C(=O)OC(=O)c1ccc(-c2ccc(F)c(Cl)c2)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ MMP12 P39900 1/20 0.35
▸ ADAMTS5 Q9UNA0 1/20 0.35
▸ PRSS1 P07477 2/20 0.35
▸ TMPRSS15 P98073 2/20 0.35
▸ ERCC5 P28715 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ HSD17B1 P14061 5/20 0.34
▸ HSD17B2 P37059 5/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ACKR3 P25106 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ STS P08842 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL2249034 0.96 IKBKB (0.37) MMP2PRSS1TMPRSS15ERCC5FEN1
SCHEMBL2244018 0.94 ERCC5 (0.36) MMP2MMP8MMP12ADAMTS5PRSS1
SCHEMBL2253021 0.93 MMP2 (0.37) MMP2MMP8MMP12ADAMTS5PRSS1
SCHEMBL2246078 0.93 IKBKB (0.40) MMP2MMP8MMP12ADAMTS5PRSS1
SCHEMBL2245315 0.89 PRSS1 (0.38) PRSS1TMPRSS15ERCC5FEN1HSD17B1
SCHEMBL2248057 0.87 MMP2 (0.43) MMP2MMP8MMP12ADAMTS5PRSS1
SCHEMBL2254211 0.84 IKBKB (0.42) HSD17B2KDM4ERAB9AKMT2ANPC1
SCHEMBL2253122 0.84 MMP2 (0.41) MMP2MMP8MMP12ADAMTS5PRSS1
SCHEMBL2247342 0.84 MMP2 (0.41) MMP2MMP8MMP12ADAMTS5PRSS1
SCHEMBL2251961 0.83 HDAC1 (0.38) MMP2MMP8MMP12ADAMTS5PRSS1

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-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 — — EP claimed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 — — US claimed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 — — WO claimed
US-7998965-B2 Glutamate aggrecanase inhibitors WYETH LLC (US) 2011-08-16 — — US disclosed
US-20100010012-A1 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2010-01-14 — — US disclosed
US-7553873-B2 Glutamate aggrecanase inhibitors WYETH (US) 2009-06-30 — — US disclosed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 — — US 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 (2 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-20100010012-A1 GLUTAMATE AGGRECANASE INHIBITORS ADAMTS5, ADAMTS1, ADAMTS7 MMP2 49/4885MMP8 70/4885MMP12 54/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 MMP2 49/4885MMP8 70/4885MMP12 54/4885

“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.