SCHEMBL3728129

SCHEMBL3728129

S=P(SOCN1CCOCC1)(c1ccccc1)N1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
EPHX2 P34913 1/20 0.37
ALDH1A1 P00352 6/20 0.36
HPGD P15428 1/20 0.36
CYP2A13 Q16696 2/20 0.36
POLB P06746 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ATM Q13315 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL3727258 0.80 ALDH1A1 (0.38) CA12CA1CA2CA4CA5A
SCHEMBL19145473 0.67 SMN1; SMN2 (0.43) ALDH1A1HPGDPOLBLMNASMN1; SMN2
SCHEMBL15604720 0.66 LMNA (0.42) CA12CA1CA2CA4CA5A
SCHEMBL13123939 0.66 ALDH1A1 (0.44) CA12CA1CA2CA4CA5A
SCHEMBL13123919 0.66 ALDH1A1 (0.44) CA12CA1CA2CA4CA5A
SCHEMBL3722406 0.66 LMNA (0.42) CA12CA1CA2CA4CA5A
SCHEMBL11791899 0.66 POLB (0.50) ALDH1A1POLBSIGMAR1ATMLMNA
SCHEMBL902129 0.65 KMT2A (0.34) CA12CA1CA2CA4CA5A
SCHEMBL255055 0.65 ESR1 (0.58) ALDH1A1HPGDSIGMAR1GAAKMT2A
SCHEMBL7786292 0.62 ALDH1A1 (0.58) ALDH1A1POLBSIGMAR1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9616076-B2 Methods for treating viral infections using hydrogen sulfide donors THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEMS (US) 2017-04-11 US disclosed
US-9504701-B2 Methods for treating viral infections using hydrogen sulfide donors THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-11-29 US disclosed
US-20160058779-A1 METHODS FOR TREATING VIRAL INFECTIONS USING HYDROGEN SULFIDE DONORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-03-03 US disclosed
US-20150342969-A1 METHODS FOR TREATING VIRAL INFECTIONS USING HYDROGEN SULFIDE DONORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2015-12-03 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-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-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 (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-20100273743-A1 MORPHOLIN-4-IUM 4 METHOXYPHENYL (MORPHOLINO) PHOSPHINODITHIOATE (GYY4137) AS A NOVEL VASODILATOR AGENT PDE3B, VASP, PDE3A CA12 4836/4885CA1 4716/4885CA2 1892/4885

“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.