SCHEMBL3722406

SCHEMBL3722406

S=P(Cl)(c1ccccc1)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.40
HSD17B10 Q99714 2/20 0.40
PKM P14618 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38
MGLL Q99685 2/20 0.38

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
SCHEMBL15604720 0.78 LMNA (0.42) LMNAALDH1A1GAAHSD17B10PKM
SCHEMBL13123919 0.78 ALDH1A1 (0.44) LMNAALDH1A1GAAHSD17B10PKM
SCHEMBL13123939 0.78 ALDH1A1 (0.44) LMNAALDH1A1GAAHSD17B10PKM
SCHEMBL11125672 0.70 ALDH1A1 (0.51) LMNAALDH1A1GAACA12CA1
SCHEMBL3727258 0.70 ALDH1A1 (0.38) LMNAALDH1A1GAAHSD17B10PKM
SCHEMBL11791899 0.67 POLB (0.50) LMNAALDH1A1GAAKMT2AMEN1
SCHEMBL14965497 0.65 ESR1 (0.39) LMNAALDH1A1GAAHSD17B10PKM
SCHEMBL15932385 0.64 ALDH1A1 (0.45) LMNAALDH1A1GAAHSD17B10PKM
Tetrahydrofuran SCHEMBL28809270 0.63 GAA (0.42) LMNAALDH1A1GAACA12CA1
SCHEMBL3071392 0.62 HPGD (0.59) LMNAALDH1A1GAAHSD17B10PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865684-B2 Morpholin-4-ium 4 methoxyphenyl (morpholino) phosphinodithioate (GYY4137) as a novel vasodilator agent NATIONAL UNIVERSITY OF SINGAPORE (SG) 2014-10-21 US disclosed
US-8865684-B2 Morpholin-4-ium 4 methoxyphenyl (morpholino) phosphinodithioate (GYY4137) as a novel vasodilator agent NATIONAL UNIVERSITY OF SINGAPORE (SG) 2014-10-21 US disclosed
US-8865684-B2 Morpholin-4-ium 4 methoxyphenyl (morpholino) phosphinodithioate (GYY4137) as a novel vasodilator agent NATIONAL UNIVERSITY OF SINGAPORE (SG) 2014-10-21 US disclosed
US-20130331360-A1 MORPHOLIN-4-IUM 4 METHOXYPHENYL (MORPHOLINO) PHOSPHINODITHIOATE (GYY4137) AS A NOVEL VASODILATOR AGENT NATIONAL UNIVERSITY OF SINGAPORE (SG) 2013-12-12 US disclosed
US-8541396-B2 Morpholin-4-ium 4 methoxyphenyl (morpholino) phosphinodithioate (GYY4137) as a novel vasodilator agent NATIONAL UNIVERSITY OF SINGAPORE (SG) 2013-09-24 US disclosed
US-8541396-B2 Morpholin-4-ium 4 methoxyphenyl (morpholino) phosphinodithioate (GYY4137) as a novel vasodilator agent NATIONAL UNIVERSITY OF SINGAPORE (SG) 2013-09-24 US disclosed
US-8541396-B2 Morpholin-4-ium 4 methoxyphenyl (morpholino) phosphinodithioate (GYY4137) as a novel vasodilator agent NATIONAL UNIVERSITY OF SINGAPORE (SG) 2013-09-24 US disclosed
WO-2012154126-A1 A SLOW-RELEASING HYDROGEN SULPHIDE DONOR IN A METHOD FOR THE TREATMENT OF CANCER NATIONAL UNIVERSITY OF SINGAPORE (SG) 2012-11-15 WO disclosed
US-20100273743-A1 MORPHOLIN-4-IUM 4 METHOXYPHENYL (MORPHOLINO) PHOSPHINODITHIOATE (GYY4137) AS A NOVEL VASODILATOR AGENT NATIONAL UNIVERSITY OF SINGAPORE (SG) 2010-10-28 US disclosed
US-20100273743-A1 MORPHOLIN-4-IUM 4 METHOXYPHENYL (MORPHOLINO) PHOSPHINODITHIOATE (GYY4137) AS A NOVEL VASODILATOR AGENT NATIONAL UNIVERSITY OF SINGAPORE (SG) 2010-10-28 US disclosed
US-20100273743-A1 MORPHOLIN-4-IUM 4 METHOXYPHENYL (MORPHOLINO) PHOSPHINODITHIOATE (GYY4137) AS A NOVEL VASODILATOR AGENT NATIONAL UNIVERSITY OF SINGAPORE (SG) 2010-10-28 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 (2 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-20100273743-A1 MORPHOLIN-4-IUM 4 METHOXYPHENYL (MORPHOLINO) PHOSPHINODITHIOATE (GYY4137) AS A NOVEL VASODILATOR AGENT PDE3B, VASP, PDE3A LMNA 4670/4885ALDH1A1 2809/4885GAA 3971/4885
US-20130331360-A1 MORPHOLIN-4-IUM 4 METHOXYPHENYL (MORPHOLINO) PHOSPHINODITHIOATE (GYY4137) AS A NOVEL VASODILATOR AGENT PDE3B, VASP, PDE3A LMNA 4670/4885ALDH1A1 2809/4885GAA 3971/4885

“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.