SCHEMBL2957718

SCHEMBL2957718

CC(C)(C)N(C(=O)OCc1ccccc1)[C@@H](CN)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 2/20 0.39
ABCB1 P08183 1/20 0.39
SLC15A1 P46059 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
SLC1A3 P43003 3/20 0.38
SLC1A1 P43005 3/20 0.38
SLC1A2 P43004 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL31422729 0.88 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KMT2AL3MBTL1MAPK1
SCHEMBL9219335 0.88 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KMT2AL3MBTL1MAPK1
SCHEMBL5421388 0.88 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KMT2AL3MBTL1MAPK1
SCHEMBL5146905 0.86 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KMT2AL3MBTL1MAPK1
SCHEMBL31087109 0.84 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KMT2AL3MBTL1MAPK1
SCHEMBL9697569 0.84 FOLH1 (0.51) ALDH1A1SMN1; SMN2FOLH1
SCHEMBL4832572 0.83 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LMNAABCB1ITGB3
SCHEMBL4832582 0.83 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LMNAABCB1ITGB3
SCHEMBL7473612 0.82 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KMT2AL3MBTL1MAPK1
SCHEMBL7382333 0.82 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KMT2AL3MBTL1MAPK1

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-7763621-B2 Vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS (FR) 2010-07-27 US disclosed
US-7582640-B2 Vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS (FR) 2009-09-01 US disclosed
US-20090149476-A1 Novel vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS SAS 2009-06-11 US disclosed
US-20060052398-A1 Novel vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same GALAPAGOS NV (BE) 2006-03-09 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-20060052398-A1 Novel vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same ADGRF1, C5AR2, ADGRE5 ALDH1A1 3380/4885SMN1; SMN2 3906/4885KMT2A 4537/4885
US-20090149476-A1 Novel vitronectin receptor antagonist derivatives, method for preparing same, use thereof as medicines and pharmaceutical compositions containing same ADGRF1, C5AR2, ADGRE5 ALDH1A1 3380/4885SMN1; SMN2 3906/4885KMT2A 4537/4885

“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.