SCHEMBL4080853

SCHEMBL4080853

CC(C)C[C@H](NC(=O)O)C(=O)NC1CCCNCC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
ALOX15 P16050 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EPHX1 P07099 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MMP1 P03956 4/20 0.41
SIGMAR1 Q99720 1/20 0.38
CTSK P43235 4/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.36
CAPN1 P07384 1/20 0.36

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
SCHEMBL14342617 0.86 EPHX1 (0.44) GAAALOX15SMN1; SMN2EPHX1MEN1
SCHEMBL4078143 0.80 ARG1 (0.47) GAASMN1; SMN2EPHX1MEN1KMT2A
SCHEMBL3956504 0.80 CTSK (0.40) GAAALOX15SMN1; SMN2MMP1CTSK
SCHEMBL3956512 0.80 CTSK (0.40) GAAALOX15SMN1; SMN2MMP1CTSK
SCHEMBL14342636 0.80 CTSK (0.66) CTSK
SCHEMBL18339023 0.75 EPHX1 (0.38) GAAALOX15SMN1; SMN2EPHX1SIGMAR1
SCHEMBL19716609 0.75 EPHX1 (0.50) GAASMN1; SMN2EPHX1KMT2ASIGMAR1
SCHEMBL22233273 0.75 EPHX1 (0.50) GAASMN1; SMN2EPHX1KMT2ASIGMAR1
SCHEMBL2324691 0.73 EPHX1 (0.62) SMN1; SMN2EPHX1SIGMAR1RAB9APOLB
SCHEMBL22233774 0.73 EPHX1 (0.62) SMN1; SMN2EPHX1SIGMAR1RAB9APOLB

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
EP-1796793-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-08-05 EP disclosed
US-20070293477-A1 Novel Compounds SMITHKLINE BEECHAM CORPORATION 2007-12-20 US disclosed
EP-1796793-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-20 EP disclosed
WO-2006029154-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-16 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 (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-20070293477-A1 Novel Compounds HRH4, TRPV4, TRPC4 GAA 3684/4885ALOX15 1031/4885SMN1; SMN2 2958/4885

“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.