SCHEMBL1904872

SCHEMBL1904872

CCOC(=S)SCC(=O)C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
CYP2D6 P10635 1/20 0.61
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
CES1 P23141 7/20 0.42
MAPT P10636 5/20 0.41
KMT2A Q03164 4/20 0.40
PKM P14618 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL7197331 0.77 ALDH1A1 (0.50) ALDH1A1CYP2D6HDAC3HDAC4HDAC1
SCHEMBL10021922 0.76 ALDH1A1 (0.70) ALDH1A1CYP2D6HDAC3HDAC4HDAC1
SCHEMBL14865008 0.76 ALDH1A1 (0.70) ALDH1A1CYP2D6HDAC3HDAC4HDAC1
SCHEMBL3412115 0.76 ALDH1A1 (1.00) ALDH1A1CYP2D6HDAC3HDAC4HDAC1
SCHEMBL3416817 0.75 ALDH1A1 (0.68) ALDH1A1CYP2D6HDAC3HDAC4HDAC1
SCHEMBL557758 0.75 ALDH1A1 (0.68) ALDH1A1CYP2D6HDAC3HDAC4HDAC1
SCHEMBL13433476 0.73 ALDH1A1 (0.66) ALDH1A1CYP2D6HDAC3HDAC4HDAC1
SCHEMBL22575889 0.73 ALDH1A1 (0.66) ALDH1A1CYP2D6HDAC3HDAC4HDAC1
SCHEMBL2445178 0.73 ALDH1A1 (0.59) ALDH1A1CYP2D6HDAC3HDAC4HDAC1
SCHEMBL20520533 0.72 ALDH1A1 (0.63) ALDH1A1CYP2D6HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11575156-B2 Diselenoester electrolyte additives for fast charging lithium ion batteries StoreDot Ltd. (IL) 2023-02-07 US disclosed
US-11205796-B2 Electrolyte additives in lithium-ion batteries StoreDot Ltd. (IL) 2021-12-21 US disclosed
US-20210242497-A1 DISELENOESTER ELECTROLYTE ADDITIVES FOR FAST CHARGING LITHIUM ION BATTERIES StoreDot Ltd. (IL) 2021-08-05 US disclosed
US-20210242500-A1 ELECTROLYTES FOR FAST CHARGING LITHIUM ION BATTERIES HAVING FOUR-CARBON CHAIN ESTERS AS LINEAR COMPONENTS StoreDot Ltd. (IL) 2021-08-05 US disclosed
US-20210234197-A1 ELECTROLYTE ADDITIVES FOR FAST CHARGING LITHIUM ION BATTERIES StoreDot Ltd. (IL) 2021-07-29 US disclosed
US-20190356013-A1 ELECTROLYTE ADDITIVES IN LITHIUM-ION BATTERIES StoreDot Ltd. (IL) 2019-11-21 US disclosed
US-20190198912-A1 ELECTROLYTE ADDITIVES IN LITHIUM-ION BATTERIES StoreDot Ltd. (IL) 2019-06-27 US disclosed
US-7981919-B2 Tricyclic heteroaryl piperazines, pyrrolidines and azetidines as serotonin receptor modulators ATHERSYS, INC. (US) 2011-07-19 US disclosed
US-7981919-B2 Tricyclic heteroaryl piperazines, pyrrolidines and azetidines as serotonin receptor modulators ATHERSYS, INC. (US) 2011-07-19 US disclosed
EP-1796663-B1 TRICYCLIC HETEROARYL PIPERAZINES, PYRROLIDINES AND AZETIDINES AS SEROTONIN RECEPTOR MODULATORS ATHERSYS INC (US) 2011-05-04 EP disclosed
EP-1796663-A4 TRICYCLIC HETEROARYL PIPERAZINES, PYRROLIDINES AND AZETIDINES AS SEROTONIN RECEPTOR MODULATORS ATHERSYS INC (US) 2009-08-05 EP disclosed
US-20090069365-A1 Tricyclic heteroaryl piperazines, pyrrolidines and azetidines as serotonin receptor modulators BENNANI YOUSSEF L 2009-03-12 US disclosed
US-20090069365-A1 Tricyclic heteroaryl piperazines, pyrrolidines and azetidines as serotonin receptor modulators BENNANI YOUSSEF L 2009-03-12 US disclosed
US-7423056-B2 Tricyclic heteroaryl piperazines, pyrrolidines and azetidines as serotonin receptor modulators ATHERSYS, INC. (US) 2008-09-09 US disclosed
US-7423056-B2 Tricyclic heteroaryl piperazines, pyrrolidines and azetidines as serotonin receptor modulators ATHERSYS, INC. (US) 2008-09-09 US disclosed
EP-1796663-A2 TRICYCLIC HETEROARYL PIPERAZINES, PYRROLIDINES AND AZETIDINES AS SEROTONIN RECEPTOR MODULATORS Athersys, Inc. (US) 2007-06-20 EP disclosed
US-20060079567-A1 Tricyclic heteroaryl piperazines, pyrrolidines and azetidines as serotonin receptor modulators ATHERSYS, INC. 2006-04-13 US disclosed
WO-2006028961-A2 TRICYCLIC HETEROARYL PIPERAZINES, PYRROLIDINES AND AZETIDINES AS SEROTONIN RECEPTOR MODULATORS ATHERSYS, INC. (US) 2006-03-16 WO 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 (2 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-20060079567-A1 Tricyclic heteroaryl piperazines, pyrrolidines and azetidines as serotonin receptor modulators HTR5A, HTR2C, HTR2A ALDH1A1 1083/4885CYP2D6 589/4885HDAC3 196/4885
US-20090069365-A1 Tricyclic heteroaryl piperazines, pyrrolidines and azetidines as serotonin receptor modulators HTR5A, HTR2C, HTR2A ALDH1A1 1083/4885CYP2D6 589/4885HDAC3 196/4885

“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.