SCHEMBL18655573

SCHEMBL18655573

CCCSC(=O)OCOC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ACHE P22303 4/20 0.39
TSHR P16473 1/20 0.34
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
PTGS2 P35354 1/20 0.32
FAAH O00519 1/20 0.31
PGR P06401 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
HTR1A P08908 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRM3 P20309 1/20 0.30
TBXA2R P21731 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
SCHEMBL990499 0.83 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10ACHETSHR
SCHEMBL18655552 0.82 LMNA (0.34) TDP1ALDH1A1LMNAHSD17B10ACHE
Hydrochloric Acid SCHEMBL18757098 0.80 IDO1 (0.33) TDP1ALDH1A1LMNAHSD17B10ACHE
SCHEMBL18655567 0.80 TDP1 (0.39) TDP1ACHENOS3NOS1NOS2
SCHEMBL18655571 0.79 TDP1 (0.38) TDP1ALDH1A1ACHE
SCHEMBL11614669 0.78
SCHEMBL18631675 0.76 ACHE (0.38) ALDH1A1ACHETSHR
SCHEMBL9299725 0.76 ACHE (0.50) TDP1ALDH1A1LMNAACHETSHR
SCHEMBL23748438 0.74
SCHEMBL23748439 0.74

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 1574/4885ALDH1A1 840/4885LMNA 2754/4885

“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.