SCHEMBL3056306

SCHEMBL3056306

NCC[C@H](O)C(=O)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 2/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP8 P22894 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL16964809 1.00 CYP3A4 (0.41) CYP3A4CYP2C19L3MBTL1DPP7GAA
SCHEMBL3062227 0.85 CYP3A4 (0.42) CYP3A4CYP2C19L3MBTL1GAASMN1; SMN2
SCHEMBL3062187 0.85 CYP3A4 (0.42) CYP3A4CYP2C19L3MBTL1GAASMN1; SMN2
SCHEMBL3062191 0.85 CYP3A4 (0.42) CYP3A4CYP2C19L3MBTL1GAASMN1; SMN2
SCHEMBL3067848 0.82 DPP7 (0.56) DPP7ALDH1A1MMP1MMP8
SCHEMBL8488986 0.81 CYP3A4 (0.47) CYP3A4CYP2C19L3MBTL1GAASMN1; SMN2
SCHEMBL5482918 0.81 CYP3A4 (0.47) CYP3A4CYP2C19L3MBTL1GAASMN1; SMN2
SCHEMBL6824021 0.81 DPP7 (0.56) CYP3A4CYP2C19L3MBTL1DPP7TSHR
SCHEMBL28672211 0.79 L3MBTL1 (0.42) CYP3A4CYP2C19L3MBTL1GAASMN1; SMN2
SCHEMBL16964806 0.78 KDM4E (0.46) CYP3A4CYP2C19L3MBTL1GAASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267719-A1 Enhanced Indolinone Based Protein Kinase Inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2010-10-21 US disclosed
EP-1893194-A4 ENHANCED INDOLINONE BASED PROTEIN KINASE INHIBITORS SCRIPPS RESEARCH INST (US) 2009-07-01 EP disclosed
EP-1893194-A1 ENHANCED INDOLINONE BASED PROTEIN KINASE INHIBITORS The Scripps Research Institute (US) 2008-03-05 EP disclosed
US-20060287381-A1 Enhanced indolinone based protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2006-12-21 US disclosed
WO-2006127961-A1 ENHANCED INDOLINONE BASED PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2006-11-30 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 (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-20060287381-A1 Enhanced indolinone based protein kinase inhibitors PHKG1, PHKG2, PRKCH CYP3A4 3771/4885CYP2C19 2617/4885L3MBTL1 2815/4885
US-20100267719-A1 Enhanced Indolinone Based Protein Kinase Inhibitors PHKG1, PHKG2, PRKCH CYP3A4 4175/4885CYP2C19 3517/4885L3MBTL1 2856/4885

“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.