SCHEMBL2249643

SCHEMBL2249643

NC(=O)[C@H](CCC(=O)O)NCC1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
FOLH1 Q04609 5/20 0.39
NAALAD2 Q9Y3Q0 2/20 0.39
RIMKLA Q8IXN7 1/20 0.39
MAPT P10636 1/20 0.36
HPGDS O60760 1/20 0.35
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRE P78334 2/20 0.34
GABRA6 Q16445 2/20 0.34
GABRG1 Q8N1C3 2/20 0.34

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
SCHEMBL2249648 0.79 KMT2A (0.41) TDP1FOLH1NAALAD2RIMKLASLC1A3
SCHEMBL8043159 0.78 TDP1 (0.47) TDP1TSHR
SCHEMBL2248402 0.76 HSD11B1 (0.42) FOLH1NAALAD2RIMKLAMAPTHPGDS
SCHEMBL4621858 0.75 FOLH1 (0.41) FOLH1NAALAD2RIMKLAMAPTHPGDS
SCHEMBL28446017 0.74 FOLH1 (0.48) FOLH1NAALAD2RIMKLAMAPTHPGDS
SCHEMBL2247729 0.72 ALDH1A1 (0.43) FOLH1NAALAD2RIMKLAHPGDSLMNA
SCHEMBL2242492 0.71 FOLH1 (0.41) FOLH1NAALAD2RIMKLAHPGDSGABRP
SCHEMBL18467856 0.71 FOLH1 (0.48) FOLH1NAALAD2RIMKLAMAPTHPGDS
SCHEMBL13465054 0.71 FOLH1 (0.48) FOLH1NAALAD2RIMKLAMAPTHPGDS
SCHEMBL18293373 0.71 FOLH1 (0.48) FOLH1NAALAD2RIMKLAMAPTHPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TDP1 1018/4885FOLH1 17/4885NAALAD2 39/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 TDP1 1018/4885FOLH1 17/4885NAALAD2 39/4885

“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.