SCHEMBL4193689

SCHEMBL4193689

NC(=O)C[C@H](O)C[C@@H](O)CC(=O)N1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
GAA P10253 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
DPP7 Q9UHL4 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL4192885 0.85 ATM (0.41) ATMALDH1A1SMN1; SMN2HPGDL3MBTL1
SCHEMBL4184867 0.84 HTR1A (0.40) SMN1; SMN2L3MBTL1KMT2ATDP1CYP1A2
SCHEMBL4198380 0.84 L3MBTL1 (0.44) ALDH1A1SMN1; SMN2HPGDL3MBTL1GAA
SCHEMBL4192883 0.84 ATM (0.39) ATMALDH1A1SMN1; SMN2HPGDL3MBTL1
SCHEMBL4193698 0.82 DPP7 (0.41) ATMALDH1A1SMN1; SMN2HPGDL3MBTL1
SCHEMBL8483453 0.75 L3MBTL1 (0.47) ATMALDH1A1SMN1; SMN2HPGDL3MBTL1
SCHEMBL8488426 0.73 MEN1 (0.48) ATMALDH1A1SMN1; SMN2HPGDL3MBTL1
SCHEMBL6041226 0.72 ATM (0.46) ATMALDH1A1SMN1; SMN2HPGDL3MBTL1
SCHEMBL6319425 0.71 MEN1 (0.58) ATMSMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL20905479 0.71 ATM (0.45) ATMALDH1A1SMN1; SMN2HPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1686987-A4 ADVANCED INDOLINONE BASED PROTEIN KINASE INHIBITORS SCRIPPS RESEARCH INST (US) 2009-02-25 EP disclosed
US-20080044881-A1 Advanced Indolinone Based Protein Kinase Inhibitors SCRIPPS RESEARCH INSTITUTE, THE 2008-02-21 US disclosed
US-20060287381-A1 Enhanced indolinone based protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2006-12-21 US disclosed
EP-1686987-A2 ADVANCED INDOLINONE BASED PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2006-08-09 EP disclosed
WO-2005053614-A2 ADVANCED INDOLINONE BASED PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2005-06-16 WO disclosed
WO-2005053686-A1 INDOLINONE BASED PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2005-06-16 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 (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 ATM 804/4885ALDH1A1 1285/4885SMN1; SMN2 3746/4885
US-20080044881-A1 Advanced Indolinone Based Protein Kinase Inhibitors PHKG1, PHKG2, HIPK1 ATM 377/4885ALDH1A1 3011/4885SMN1; SMN2 3793/4885

“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.