Sugi Predict

Sugi Predict / Compounds / SCHEMBL2248586

SCHEMBL2248586

SCHEMBL2248586

CC(C)(Cc1ccc(Cl)cc1)N(C(=O)c1ccc2c(c1)Cc1ccccc1-2)[C@@H](CCC(=O)O)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 2/20 0.40
▸ GIPR P48546 2/20 0.40
▸ SRD5A2 P31213 1/20 0.39
▸ DRD2 P14416 3/20 0.38
▸ HTR2A P28223 2/20 0.38
▸ ADRA1D P25100 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ ADRA1B P35368 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ MMP12 P39900 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ MCHR1 Q99705 1/20 0.36
▸ MMP2 P08253 2/20 0.34
▸ MMP3 P08254 1/20 0.34
▸ CNR1 P21554 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 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
SCHEMBL2247429 0.94 SRD5A2 (0.43) GCGRGIPRSRD5A2DRD2HTR2A
SCHEMBL2247710 0.82 ADAMTS5 (0.38) HTR2AHTR2BMMP12MCHR1MMP2
SCHEMBL2245198 0.80 MMP12 (0.40) MMP12MMP13MMP2MMP3
SCHEMBL2242485 0.78 MMP2 (0.45) MMP12MCHR1MMP2CNR1
SCHEMBL4356632 0.78 MMP12 (0.39) MMP12MMP2CNR1
SCHEMBL2245097 0.76 KMT2A (0.37) MMP12MMP2ALDH1A1LMNA
SCHEMBL4369267 0.75 SRD5A2 (0.46) SRD5A2DRD2HTR2AADRA1DHTR2C
SCHEMBL2251275 0.74 MMP12 (0.40) MMP12MMP13MMP2ALDH1A1LMNA
SCHEMBL2247681 0.74 MMP12 (0.45) MMP12MMP13MMP2MMP3
SCHEMBL2249693 0.74 IKBKB (0.33) GCGRGIPRMMP12MMP13MMP2

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 9 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
EP-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 — — EP disclosed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 — — US disclosed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 — — 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 (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 GCGR 1949/4885GIPR 1324/4885SRD5A2 3124/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 GCGR 1949/4885GIPR 1324/4885SRD5A2 3124/4885

“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.