SCHEMBL4083083

SCHEMBL4083083

CCCNC(c1ccccc1)C(O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 0.53
MAN2A1 Q16706 2/20 0.46
MAN1B1 Q9UKM7 2/20 0.46
SIGMAR1 Q99720 1/20 0.44
ADRA2C P18825 2/20 0.44
CHRM2 P08172 1/20 0.44
ADRA1A P35348 1/20 0.44
RGS12 O14924 1/20 0.44
GLA P06280 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
NFKB1 P19838 1/20 0.44
HTR2A P28223 1/20 0.44
CYP2C19 P33261 1/20 0.44
THPO P40225 1/20 0.44

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
SCHEMBL9729227 0.83 AOC3 (0.55) AOC3MAN2A1MAN1B1ADRA2CCHRM2
SCHEMBL9729078 0.82 ALDH1A1 (0.47) AOC3MAN2A1MAN1B1ADRA2CCHRM2
SCHEMBL9729435 0.81 AOC3 (0.53) AOC3MAN2A1MAN1B1ADRA2CCHRM2
SCHEMBL13990579 0.81 CYP2D6 (0.58) AOC3SIGMAR1ADRA2CCHRM2ADRA1A
SCHEMBL11879421 0.81 AOC3 (0.58) AOC3MAN2A1MAN1B1ADRA2CCHRM2
SCHEMBL22461952 0.81 CYP2D6 (0.58) AOC3SIGMAR1ADRA2CCHRM2ADRA1A
SCHEMBL9729205 0.81 ALDH1A1 (0.46) AOC3MAN2A1MAN1B1TSHRLMNA
SCHEMBL9728882 0.81 HPGD (0.49) AOC3MAN2A1MAN1B1ADRA2CCHRM2
SCHEMBL9729125 0.81 AOC3 (0.49) AOC3MAN2A1MAN1B1ADRA2CCHRM2
SCHEMBL9728901 0.80 ALDH1A1 (0.54) AOC3MAN2A1MAN1B1ADRA2CCHRM2

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 AOC3 2624/4885MAN2A1 4362/4885MAN1B1 3221/4885

“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.