SCHEMBL3589183

SCHEMBL3589183

NC(=O)CC[C@@H](C(=O)O)N(Cc1ccccc1)C(=O)c1ccc(-c2ccc(OCc3cccc(Br)c3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 3/20 0.53
PARP10 Q53GL7 2/20 0.53
PARP14 Q460N5 1/20 0.53
MAOB P27338 2/20 0.47
ADAMTS4 O75173 1/20 0.47
MMP13 P45452 1/20 0.47
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
PTGES O14684 2/20 0.43
ALOX5 P09917 2/20 0.43
MRGPRX4 Q96LA9 2/20 0.41
MAOA P21397 1/20 0.40
LTC4S Q16873 1/20 0.40

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
SCHEMBL3577149 0.92 FFAR1 (0.48) PARP10FFAR1FFAR4PTGESALOX5
SCHEMBL3588588 0.91 ALOX5 (0.52) PARP10MAOBADAMTS4MMP13FFAR1
SCHEMBL3584344 0.89 MAOB (0.53) PARP10MAOBADAMTS4MMP13PTGES
SCHEMBL3595967 0.86 HSD17B2 (0.50) FFAR1FFAR4PTGESALOX5MRGPRX4
SCHEMBL3588841 0.83 FFAR1 (0.47) FFAR1FFAR4PTGESALOX5
SCHEMBL4371351 0.81 KMT2A (0.40)
SCHEMBL3589161 0.80 HSD17B2 (0.45) FFAR1FFAR4PTGESALOX5
SCHEMBL3584964 0.80 F7 (0.44) PTGESALOX5
SCHEMBL3591193 0.79 ADAMTS4 (0.41) ADAMTS4PTGES
SCHEMBL2247421 0.78 PARP15 (0.56) PARP15PARP10PARP14MAOBADAMTS4

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
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 PARP15 920/4885PARP10 1677/4885PARP14 1761/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 PARP15 920/4885PARP10 1677/4885PARP14 1761/4885

“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.