SCHEMBL4311209

SCHEMBL4311209

CCOC(=O)[C@H](C(=O)O)C(CC(C)C)C[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 5/20 0.54
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RNPEP Q9H4A4 1/20 0.31
SLC7A5 Q01650 1/20 0.31
PIN1 Q13526 1/20 0.30
PPID Q08752 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
SCHEMBL4311206 1.00 CPA1 (0.54) CPA1ALDH1A1KDM4EPOLBKMT2A
SCHEMBL5163506 0.92 CPA1 (0.50) CPA1ALDH1A1KMT2ATP53SMN1; SMN2
SCHEMBL1427009 0.92 CPA1 (0.50) CPA1ALDH1A1KMT2ATP53SMN1; SMN2
SCHEMBL18191192 0.88 CPA1 (0.46) CPA1ALDH1A1POLBTP53SMN1; SMN2
SCHEMBL18191197 0.88 CPA1 (0.46) CPA1ALDH1A1POLBTP53SMN1; SMN2
SCHEMBL5245266 0.86 CPA1 (0.51) CPA1ALDH1A1SMN1; SMN2
SCHEMBL1409156 0.85 CPA1 (0.61) CPA1ALDH1A1KDM4EPOLBKMT2A
SCHEMBL6855469 0.83 CPA1 (0.50) CPA1ALDH1A1PPID
SCHEMBL4305803 0.79 CPA1 (0.37) CPA1ALDH1A1
SCHEMBL4305805 0.79 CPA1 (0.37) CPA1ALDH1A1

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
EP-1640361-B9 ASYMMETRIC UREA COMPOUNDS AND PROCESS FOR PRODUCING ASYMMETRIC COMPOUNDS BY ASYMMETRIC CONJUGATE ADDITION REACTION USING THE SAME AS CATALYST SUMITOMO CHEMICAL CO (JP) 2015-11-04 EP disclosed
EP-1640361-B1 ASYMMETRIC UREA COMPOUNDS AND PROCESS FOR PRODUCING ASYMMETRIC COMPOUNDS BY ASYMMETRIC CONJUGATE ADDITION REACTION USING THE SAME AS CATALYST SUMITOMO CHEMICAL CO (JP) 2015-05-27 EP disclosed
US-7632970-B2 Asymmetric urea compound and process for producing asymmetric compound by asymmetric conjugate addition reaction with the same as catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-12-15 US disclosed
US-20060161006-A1 Asymmetric urea compound and process for producing asymmetric compound by asymmetric conjugate addition reaction with the same as catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-07-20 US disclosed
EP-1640361-A2 ASYMMETRIC UREA COMPOUND AND PROCESS FOR PRODUCING ASYMMETRIC COMPOUND BY ASYMMETRIC CONJUGATE ADDITION REACTION WITH THE SAME AS CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-03-29 EP 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-20060161006-A1 Asymmetric urea compound and process for producing asymmetric compound by asymmetric conjugate addition reaction with the same as catalyst RAD18, UTP18, UBE2G2 CPA1 3471/4885ALDH1A1 2730/4885KDM4E 897/4885

“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.