SCHEMBL3056302

SCHEMBL3056302

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.34
LMNA P02545 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL16965188 0.79 LMNA (0.55) LMNAALDH1A1CHRM1CHRM3HDAC1
SCHEMBL3074234 0.77 TDP1 (0.31) TDP1
SCHEMBL11404507 0.77 DPP4 (0.33) DPP4LMNAMMP1MMP2MMP3
SCHEMBL20495355 0.77 LMNA (0.39) DPP4LMNACA12CA1CA9
SCHEMBL31145674 0.75 OR51E2 (0.42) DPP4LMNACA12CA1CA9
SCHEMBL3056305 0.74 GABRR1 (0.37) DPP4LMNACA12CA1CA9
SCHEMBL7590954 0.74 ALDH1A1 (0.39) DPP4SMN1; SMN2ALDH1A1
SCHEMBL21827488 0.73 CA12 (0.40) CA12CA1CA9MMP1MMP2
SCHEMBL18783157 0.71 SMN1; SMN2 (0.36) DPP4LMNACA12CA1CA9
SCHEMBL27530727 0.71 GPR84 (0.48) LMNACA12CA1CA9

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 DPP4 2943/4885LMNA 2678/4885CA12 4754/4885
US-20100267719-A1 Enhanced Indolinone Based Protein Kinase Inhibitors PHKG1, PHKG2, PRKCH DPP4 3646/4885LMNA 2682/4885CA12 4859/4885

“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.