SCHEMBL3727258

SCHEMBL3727258

COSP(=S)(c1ccccc1)N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 2/20 0.38
PKM P14618 1/20 0.38
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
KMT2A Q03164 5/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 2/20 0.36
TSHR P16473 2/20 0.34
ATM Q13315 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL19145473 0.85 SMN1; SMN2 (0.43) ALDH1A1HSD17B10KMT2AMEN1LMNA
SCHEMBL902129 0.84 KMT2A (0.34) ALDH1A1CA12CA1CA2CA4
SCHEMBL3728129 0.80 CA12 (0.38) ALDH1A1CA12CA1CA2CA4
SCHEMBL13123939 0.74 ALDH1A1 (0.44) ALDH1A1HSD17B10PKMCA12CA1
SCHEMBL3722406 0.70 LMNA (0.42) ALDH1A1HSD17B10PKMCA12CA1
SCHEMBL13123919 0.70 ALDH1A1 (0.44) ALDH1A1HSD17B10PKMCA12CA1
SCHEMBL15604720 0.70 LMNA (0.42) ALDH1A1HSD17B10PKMCA12CA1
SCHEMBL902866 0.66 LMNA (0.36) ALDH1A1PKMCA12CA1CA2
SCHEMBL11125672 0.64 ALDH1A1 (0.51) ALDH1A1CA12CA1CA2CA4
SCHEMBL3727257 0.63 ALDH1A1 (0.41) ALDH1A1HSD17B10PKMKMT2ALMNA

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-8865684-B2 Morpholin-4-ium 4 methoxyphenyl (morpholino) phosphinodithioate (GYY4137) as a novel vasodilator agent NATIONAL UNIVERSITY OF SINGAPORE (SG) 2014-10-21 US claimed
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 claimed
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-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 ALDH1A1 2809/4885HSD17B10 3807/4885PKM 119/4885

“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.