SCHEMBL5347262

SCHEMBL5347262

C[C@H]1C[C@H](OC(=O)c2ccc(Br)cc2)[C@H](OC(=O)c2ccc(Br)cc2)[C@@H](C)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.50
PTPN2 P17706 2/20 0.50
PTPRF P10586 1/20 0.50
KMT2A Q03164 4/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MEN1 O00255 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CHRNB2 P17787 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
POLB P06746 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CHRM2 P08172 1/20 0.34

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
SCHEMBL5693987 1.00 PTPN1 (0.50) PTPN1PTPN2PTPRFKMT2ANPSR1
SCHEMBL5342278 1.00 PTPN1 (0.50) PTPN1PTPN2PTPRFKMT2ANPSR1
SCHEMBL11492699 0.77 CHRM2 (0.50) CHRNA7CHRM2CHRM4CHRM1CHRM3
SCHEMBL31307177 0.74 ALDH1A1 (0.59) PTPN1PTPN2PTPRFKMT2ANPSR1
SCHEMBL16428864 0.74 PTPN2 (0.56) PTPN1PTPN2PTPRFKMT2ANPSR1
SCHEMBL21374400 0.71 PTPN2 (0.57) PTPN1PTPN2PTPRFKMT2ANPSR1
SCHEMBL11937115 0.69 CHRNA7 (0.51) PTPN1PTPN2PTPRFKMT2ANPSR1
SCHEMBL14315917 0.68 PTPRF (0.53) PTPN1PTPN2PTPRFKMT2ANPSR1
SCHEMBL16311866 0.68 CHRM2 (0.56) KMT2AMEN1CHRNA7CHRM2CHRM4
SCHEMBL27964590 0.68 PTPN2 (0.71) PTPN1PTPN2PTPRFKMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279601-B2 Optically active α-aminooxyketone derivatives and process for production thereof TOKYO UNIVERSITY OF SCIENCE, CENTER FOR SCIENCE AND TECHNOLOGY EXCHANGE (JP) 2007-10-09 US disclosed
US-20060293525-A1 Optically active alpha-aminooxyketone derivatives and process for production thereof TOKYO UNIVERSITY OF SCIENCE, CENTER FOR SCIENCE AND TECHNOLOGY EXCHANGE (JP) 2006-12-28 US 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-20060293525-A1 Optically active alpha-aminooxyketone derivatives and process for production thereof ALDH7A1, ASPH, KMO PTPN1 4553/4885PTPN2 4634/4885PTPRF 4792/4885

“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.