SCHEMBL4308169

SCHEMBL4308169

COC(=O)[C@](Cl)(C(=O)O)C(C[N+](=O)[O-])c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
CYP3A4 P08684 1/20 0.61
NPSR1 Q6W5P4 1/20 0.38
CPA1 P15085 3/20 0.38
NPC1 O15118 1/20 0.37
ADAM17 P78536 1/20 0.37
KCNN4 O15554 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4308166 1.00 ALDH1A1 (0.61) ALDH1A1CYP3A4NPSR1CPA1NPC1
SCHEMBL28757481 0.95 ALDH1A1 (0.64) ALDH1A1CYP3A4NPSR1CPA1NPC1
SCHEMBL6227187 0.83 ALDH1A1 (0.62) ALDH1A1CYP3A4NPSR1CPA1NPC1
SCHEMBL4302729 0.82 ALDH1A1 (0.65) ALDH1A1CYP3A4NPSR1CPA1NPC1
SCHEMBL4305771 0.82 ALDH1A1 (0.61) ALDH1A1CYP3A4NPSR1CPA1NPC1
SCHEMBL4305768 0.82 ALDH1A1 (0.61) ALDH1A1CYP3A4NPSR1CPA1NPC1
SCHEMBL4303884 0.75 ALDH1A1 (0.54) ALDH1A1CYP3A4NPSR1
SCHEMBL4303889 0.75 ALDH1A1 (0.54) ALDH1A1CYP3A4NPSR1
SCHEMBL578529 0.72 ALDH1A1 (0.56) ALDH1A1CYP3A4CPA1NPC1ADAM17
SCHEMBL19078330 0.71 ALDH1A1 (0.55) ALDH1A1CYP3A4NPSR1KMT2A

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 ALDH1A1 2730/4885CYP3A4 342/4885NPSR1 3126/4885

“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.