SCHEMBL6500077

SCHEMBL6500077

CC(C)(C)[C@@](CN)(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HTT P42858 1/20 0.46
CTSS P25774 2/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 2/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
SYK P43405 1/20 0.43
POLB P06746 1/20 0.43
CTSK P43235 2/20 0.42

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
SCHEMBL7410131 1.00 MEN1 (0.50) MEN1KMT2ASMN1; SMN2CA12CA1
SCHEMBL7410134 1.00 MEN1 (0.50) MEN1KMT2ASMN1; SMN2CA12CA1
SCHEMBL3257096 0.86 HTT (0.52) MEN1KMT2ASMN1; SMN2CA12CA1
SCHEMBL2777369 0.86 HTT (0.52) MEN1KMT2ASMN1; SMN2CA12CA1
SCHEMBL9087628 0.86 HTT (0.52) MEN1KMT2ASMN1; SMN2CA12CA1
SCHEMBL31236732 0.86 MEN1 (0.45) MEN1KMT2ASMN1; SMN2CA12CA1
SCHEMBL3784980 0.85 MEN1 (0.49) MEN1KMT2ASMN1; SMN2CA12CA1
SCHEMBL6702818 0.85 MEN1 (0.49) MEN1KMT2ASMN1; SMN2CA12CA1
SCHEMBL375883 0.84 MEN1 (0.48) MEN1KMT2ASMN1; SMN2CA12CA1
SCHEMBL952703 0.83 MEN1 (0.47) MEN1KMT2ASMN1; SMN2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity AJITO KEIICHI (JP) 2005-03-17 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 (1 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-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity ITGAV, ITGB3, ITGA4 MEN1 1713/4885KMT2A 1917/4885SMN1; SMN2 1363/4885

“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.