SCHEMBL9101145

SCHEMBL9101145

CC(C)(C)N(C(=O)O)[C@H](C=O)CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.52
MEN1 O00255 5/20 0.52
HTT P42858 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.42
HPGD P15428 2/20 0.42
ACE P12821 1/20 0.42
TSHR P16473 1/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL5474507 0.85 MEN1 (0.48) KMT2AMEN1HTTL3MBTL1HPGD
SCHEMBL1000812 0.85 MEN1 (0.48) KMT2AMEN1HTTL3MBTL1HPGD
SCHEMBL14717641 0.85 MEN1 (0.48) KMT2AMEN1HTTL3MBTL1HPGD
SCHEMBL5065706 0.78 KMT2A (0.47) KMT2AMEN1HTTL3MBTL1SMN1; SMN2
SCHEMBL14966043 0.77 KMT2A (0.35) KMT2AMEN1HTTL3MBTL1TSHR
SCHEMBL6987291 0.75 MTNR1A (0.42) KMT2AMEN1HTTL3MBTL1ALDH1A1
SCHEMBL9820014 0.75 MMP3 (0.41) KMT2AMEN1HTTL3MBTL1ACE
SCHEMBL15521836 0.75 HPGD (0.41) KMT2AMEN1HTTL3MBTL1HPGD
SCHEMBL15521834 0.75 HPGD (0.41) KMT2AMEN1HTTL3MBTL1HPGD
SCHEMBL27931947 0.74 HPGD (0.44) KMT2AMEN1HTTL3MBTL1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142668-A1 CATHEPSIN C INHIBITORS GLAXO GROUP LIMITED (GB) 2012-06-07 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-20120142668-A1 CATHEPSIN C INHIBITORS CTSE, CTSB, CTSS KMT2A 4280/4885MEN1 4882/4885HTT 3677/4885

“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.