SCHEMBL4081547

SCHEMBL4081547

O=C(N[C@H]1CCCCNC1=O)OCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 9/20 0.61
ASAH1 Q13510 1/20 0.59
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 1/20 0.53
EPHX1 P07099 1/20 0.52
CTSL P07711 1/20 0.52
GAA P10253 1/20 0.51
GLA P06280 1/20 0.51

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
SCHEMBL4087794 1.00 NAAA (0.61) NAAAASAH1ALDH1A1KDM4EEPHX1
SCHEMBL10719082 1.00 NAAA (0.61) NAAAASAH1ALDH1A1KDM4EEPHX1
SCHEMBL4078569 0.96 NAAA (0.62) NAAAASAH1ALDH1A1CTSLGAA
SCHEMBL4077967 0.96 NAAA (0.62) NAAAASAH1ALDH1A1CTSLGAA
SCHEMBL4077965 0.96 NAAA (0.62) NAAAASAH1ALDH1A1CTSLGAA
SCHEMBL6200442 0.92 NAAA (0.57) NAAAASAH1ALDH1A1EPHX1
SCHEMBL6200454 0.92 NAAA (0.57) NAAAASAH1ALDH1A1EPHX1
SCHEMBL3734489 0.91 NAAA (0.65) NAAAASAH1ALDH1A1CTSLGAA
SCHEMBL4074285 0.91 NAAA (0.65) NAAAASAH1ALDH1A1CTSLGAA
SCHEMBL4084617 0.91 NAAA (0.65) NAAAASAH1ALDH1A1CTSLGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NAAA 3150/4885ASAH1 2012/4885ALDH1A1 3724/4885

“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.