SCHEMBL4074447

SCHEMBL4074447

COC[C@@H](N)[C@H](O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 2/20 0.53
KDM4E B2RXH2 2/20 0.53
ADRA2A P08913 1/20 0.53
LMNA P02545 1/20 0.53
HIF1A Q16665 1/20 0.53
ALDH1A1 P00352 2/20 0.52
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
AOC3 Q16853 8/20 0.43
MAPT P10636 1/20 0.43
CHRM2 P08172 1/20 0.41
ADRA1A P35348 1/20 0.41
RGS12 O14924 1/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL2066405 1.00 ADRA2C (0.53) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL13971006 1.00 ADRA2C (0.53) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL722977 1.00 ADRA2C (0.53) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL23980139 0.78 LMNA (0.50) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL2736639 0.78 LMNA (0.50) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL27257662 0.78 LMNA (0.50) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL12418041 0.78 KDM4E (0.59) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL5172179 0.78 KDM4E (0.59) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL837417 0.78 KDM4E (0.59) ADRA2CKDM4EADRA2ALMNAHIF1A
SCHEMBL4272229 0.78 KDM4E (0.59) ADRA2CKDM4EADRA2ALMNAHIF1A

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-20050020834-A1 Method for preparation of sulphostin and its analogue or intermediates thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2005-01-27 US claimed
EP-1457494-A1 PROCESSES FOR PREPARATION OF SULPHOSTIN AND ITS ANALOGUES OR INTERMEDIATES THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2004-09-15 EP claimed
US-7531657-B2 Method for preparing sulphostin and analogue thereof or preparation intermediate thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-05-12 US disclosed
US-20050020834-A1 Method for preparation of sulphostin and its analogue or intermediates thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2005-01-27 US disclosed
EP-1457494-A1 PROCESSES FOR PREPARATION OF SULPHOSTIN AND ITS ANALOGUES OR INTERMEDIATES THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2004-09-15 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-20050020834-A1 Method for preparation of sulphostin and its analogue or intermediates thereof SOST, PTMS, FGF23 ADRA2C 4227/4885KDM4E 3668/4885ADRA2A 4343/4885

“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.