SCHEMBL18655563

SCHEMBL18655563

C[C@H](OC(=O)SCCN)OC(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
TP53 P04637 1/20 0.42
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
NPC1 O15118 3/20 0.41
LMNA P02545 4/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
IDO1 P14902 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
POLB P06746 1/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
F2 P00734 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37

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
SCHEMBL18655560 1.00 TSHR (0.42) TSHRTP53PDCD1CD274NPC1
SCHEMBL18655566 1.00 TSHR (0.42) TSHRTP53PDCD1CD274NPC1
SCHEMBL18655569 0.87 LMNA (0.45) TSHRTP53PDCD1CD274NPC1
SCHEMBL14566394 0.86 NPC1 (0.43) TSHRTP53PDCD1CD274NPC1
SCHEMBL18660446 0.81 NPC1 (0.40) TSHRTP53PDCD1CD274NPC1
SCHEMBL18660450 0.81 NPC1 (0.40) TSHRTP53PDCD1CD274NPC1
SCHEMBL18660630 0.81 NPC1 (0.40) TSHRTP53PDCD1CD274NPC1
SCHEMBL6660758 0.79 TSHR (0.63) TSHRTP53PDCD1CD274NPC1
SCHEMBL12923003 0.79 NPC1 (0.50) TSHRTP53PDCD1CD274NPC1
SCHEMBL977918 0.79 NPC1 (0.50) TSHRTP53PDCD1CD274NPC1

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 TSHR 3262/4885TP53 1865/4885PDCD1 4778/4885

“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.