SCHEMBL18655553

SCHEMBL18655553

CC(C)C(=O)OCOC(=O)SCCN

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.36
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
NOS1 P29475 1/20 0.30
CYP2C19 P33261 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
Hydrochloric Acid SCHEMBL18757104 0.98 ACHE (0.35) ACHE
SCHEMBL18655567 0.83 TDP1 (0.39) ACHENOS1TDP1
SCHEMBL18655552 0.81 LMNA (0.34) ACHECYP1A2MAPTTSHRNOS1
SCHEMBL18655543 0.79 CYP1A2 (0.34) ACHECYP1A2MAPTTSHRNOS1
Hydrochloric Acid SCHEMBL18757098 0.79 IDO1 (0.33) ACHECYP1A2MAPTTSHRNOS1
SCHEMBL3953134 0.79 ALDH1A1 (0.34) ACHE
SCHEMBL18655544 0.76 ACHE (0.32) ACHE
SCHEMBL18655555 0.76 ACHE (0.32) ACHE
SCHEMBL18655541 0.76 PRKCA (0.33)
SCHEMBL18655561 0.76 ACHE (0.32) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9630917-B2 Cysteamine prodrugs, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2017-04-25 US disclosed
US-9630917-B2 Cysteamine prodrugs, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2017-04-25 US disclosed
US-20170081279-A1 CYSTEAMINE PRODRUGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-03-23 US disclosed
US-20170081279-A1 CYSTEAMINE PRODRUGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-03-23 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-20170081279-A1 CYSTEAMINE PRODRUGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE GLS, GLS2, CTH ACHE 1920/4885CYP1A2 850/4885MAPT 705/4885

“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.