SCHEMBL6097865

SCHEMBL6097865

CCOC(=O)CONC(=S)Nc1ccccc1SC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
LMNA P02545 3/20 0.48
TSHR P16473 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 5/20 0.46
MAPT P10636 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
NLRP3 Q96P20 1/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL8493358 0.75 ALDH1A1 (0.65) ALDH1A1LMNATSHRNPSR1POLB
SCHEMBL6096096 0.74 GAA (0.56) ALDH1A1LMNATSHRPOLBMAPT
SCHEMBL5170073 0.71 KMT2A (0.51) ALDH1A1LMNATSHRNPSR1POLB
SCHEMBL10488702 0.70 ALDH1A1 (0.59) ALDH1A1LMNAMAPTKMT2AGAA
SCHEMBL19957705 0.70 USP2 (0.56) ALDH1A1LMNANPSR1POLBL3MBTL1
SCHEMBL4210466 0.68 KMT2A (0.62) ALDH1A1LMNATSHRNPSR1POLB
SCHEMBL2935482 0.68 KMT2A (0.68) ALDH1A1LMNATSHRNPSR1POLB
SCHEMBL1913615 0.68 ALDH1A1 (0.51) ALDH1A1LMNAPOLBGAAKDM4E
Thiophanate SCHEMBL10414894 0.68 ALDH1A1 (0.57) ALDH1A1LMNANPSR1POLBMAPT
SCHEMBL8410472 0.67 CETP (0.53) ALDH1A1LMNATSHRNPSR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7135492-B2 Increases the concentration of high density lipoprotein cholesterol in the blood; dyslipoproteinemia; angina pectoris, myocardial infarction, antiarrhythmia agents, heart failure, kidney failure stroke, peripheral arterial occulsion WYETH (US) 2006-11-14 US disclosed
US-20030119889-A1 1,3-Disubstituted-2- thioxo-imidazolidine-4,5-dione derivatives useful in the treatment of atherosclerosis WYETH 2003-06-26 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-20030119889-A1 1,3-Disubstituted-2- thioxo-imidazolidine-4,5-dione derivatives useful in the treatment of atherosclerosis FFAR4, FFAR1, MSR1 ALDH1A1 896/4885LMNA 1945/4885TSHR 270/4885

“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.