SCHEMBL2244869

SCHEMBL2244869

Cc1cccc(CN(C(=O)c2ccc(Br)cc2)[C@@H](CCC(=O)O)C(N)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TRPM8 Q7Z2W7 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.38
HSD17B2 P37059 2/20 0.38
HSD17B1 P14061 1/20 0.38
HTT P42858 1/20 0.37
LIMK1 P53667 1/20 0.37
LIMK2 P53671 1/20 0.37
ACHE P22303 1/20 0.36
PPARG P37231 1/20 0.36
HSP90AA1 P07900 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
SCHEMBL5652505 0.88 KMT2A (0.40) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL27708328 0.88 KMT2A (0.43) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL2247349 0.87 HSD17B2 (0.45) TRPM8HSD17B2HSD17B1
SCHEMBL2247819 0.87 HSD17B2 (0.42) KMT2AALDH1A1TRPM8NPC1RAB9A
SCHEMBL2244759 0.85 HSD17B2 (0.45) TRPM8HSD17B2HSD17B1
SCHEMBL2248130 0.83 TAS2R14 (0.39) KMT2AALDH1A1LMNASMN1; SMN2TRPM8
SCHEMBL2249550 0.81 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1LMNATRPM8
SCHEMBL2247300 0.80 HSD17B2 (0.45) NPC1RAB9AHSD17B2HSD17B1ACHE
SCHEMBL2247756 0.80 TP53 (0.41) KMT2AMEN1LMNATHRB
SCHEMBL27826145 0.79 TRPM8 (0.46) KMT2AMEN1TRPM8PPARG

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
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US 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 KMT2A 2364/4885MEN1 2734/4885ALDH1A1 991/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 KMT2A 2364/4885MEN1 2734/4885ALDH1A1 991/4885

“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.