SCHEMBL18655571

SCHEMBL18655571

CCCSC(=O)OCOC(=O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
ACHE P22303 3/20 0.36
ALDH1A1 P00352 1/20 0.34
PRKCA P17252 1/20 0.33
BTN3A1 O00481 4/20 0.32
ENO1 P06733 1/20 0.31

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
SCHEMBL1507155 0.85 PRKCA (0.35) ALDH1A1PRKCABTN3A1ENO1
SCHEMBL18655541 0.84 PRKCA (0.33) ALDH1A1PRKCABTN3A1ENO1
Hydrochloric Acid SCHEMBL18757103 0.82 PRKCA (0.32) ALDH1A1PRKCABTN3A1ENO1
SCHEMBL6885640 0.82 CYP1A2 (0.36) TDP1ALDH1A1
SCHEMBL6882142 0.80 ACHE (0.40) ACHEALDH1A1
SCHEMBL18655573 0.79 TDP1 (0.41) TDP1ACHEALDH1A1
SCHEMBL18631716 0.78 IDO1 (0.36) ACHE
SCHEMBL681950 0.77 PRKCA (0.46) ALDH1A1PRKCABTN3A1ENO1
SCHEMBL2949105 0.76 PRKCA (0.37) ALDH1A1PRKCABTN3A1ENO1
SCHEMBL6882634 0.76 LMNA (0.36) ACHEPRKCA

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 TDP1 1574/4885ACHE 1920/4885ALDH1A1 840/4885

“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.