SCHEMBL4198744

SCHEMBL4198744

CCNC(=O)C[C@H](O)C[C@H](O)CCN

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
RRM1 P23921 1/20 0.33
FAAH O00519 1/20 0.32
GABRR1 P24046 2/20 0.31

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
SCHEMBL4198739 0.81 MCL1 (0.35) MCL1FAAH
SCHEMBL24164337 0.74 CACNA2D1 (0.42) MCL1DPP7RRM1FAAHGABRR1
SCHEMBL5616287 0.72 GABRR1 (0.56) GABRR1
SCHEMBL3156859 0.72 GABRR1 (0.56) GABRR1
SCHEMBL22151425 0.71 GABRR1 (0.33) GABRR1
SCHEMBL4191129 0.70 GABRR1 (0.33) GABRR1
Dimethylamine SCHEMBL7659155 0.69 MCL1 (0.38) MCL1FAAH
SCHEMBL23723108 0.69 GPR84 (0.61) FAAH
SCHEMBL9710237 0.68 GABRR1 (0.32) GABRR1
SCHEMBL24709076 0.68 CASP2 (0.40) DPP7FAAH

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 MCL1 1541/4885DPP7 2012/4885RRM1 3527/4885
US-20080044881-A1 Advanced Indolinone Based Protein Kinase Inhibitors PHKG1, PHKG2, HIPK1 MCL1 805/4885DPP7 2167/4885RRM1 2319/4885

“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.