SCHEMBL2247729

SCHEMBL2247729

NC(=O)[C@H](CCC(=O)O)NC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
EPHX2 P34913 2/20 0.43
FOLH1 Q04609 2/20 0.39
RIMKLA Q8IXN7 1/20 0.39
NAALAD2 Q9Y3Q0 1/20 0.39
EPHX1 P07099 3/20 0.37
LMNA P02545 1/20 0.37
BLM P54132 1/20 0.37
HPGDS O60760 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35

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
SCHEMBL2254202 0.98 ALDH1A1 (0.46) ALDH1A1EPHX2FOLH1RIMKLANAALAD2
SCHEMBL2244920 0.98 ALDH1A1 (0.46) ALDH1A1EPHX2FOLH1RIMKLANAALAD2
SCHEMBL4621858 0.93 FOLH1 (0.41) EPHX2FOLH1RIMKLANAALAD2LMNA
SCHEMBL29501687 0.84 EPHX2 (0.53) ALDH1A1EPHX2FOLH1RIMKLANAALAD2
SCHEMBL5670486 0.79 SMN1; SMN2 (0.44) ALDH1A1EPHX2EPHX1SMN1; SMN2
SCHEMBL2247731 0.79 KMT2A (0.41) ALDH1A1EPHX2LMNABLMSMN1; SMN2
SCHEMBL10935609 0.78 FOLH1 (0.53) EPHX2FOLH1RIMKLANAALAD2
SCHEMBL10935612 0.78 FOLH1 (0.53) EPHX2FOLH1RIMKLANAALAD2
SCHEMBL2254208 0.78 EPHX2 (0.42) ALDH1A1EPHX2LMNABLMSMN1; SMN2
SCHEMBL2244922 0.78 EPHX2 (0.42) ALDH1A1EPHX2LMNABLMSMN1; SMN2

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 4 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
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 ALDH1A1 991/4885EPHX2 1904/4885FOLH1 17/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 ALDH1A1 991/4885EPHX2 1904/4885FOLH1 17/4885

“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.