SCHEMBL3060766

SCHEMBL3060766

COc1coc(C(=O)Cl)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.35
PDF Q9HBH1 1/20 0.34
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
CYP3A4 P08684 1/20 0.33
TPMT P51580 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTT P42858 2/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTR1A P08908 1/20 0.33
HTR2C P28335 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KCNA3 P22001 2/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32

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
SCHEMBL5156582 0.82 CHRNA4 (0.50) CHRNA4SMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL6857897 0.82 CHRNA4 (0.50) CHRNA4SMN1; SMN2MAPTALDH1A1CYP3A4
SCHEMBL6856079 0.78 CHRNA4 (0.47) CHRNA4SMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL7072378 0.71 CHRNA4 (0.49) CHRNA4SMN1; SMN2ALDH1A1HPGDCYP3A4
SCHEMBL10888814 0.67 CA12 (0.47) CHRNA4SMN1; SMN2MAPTHPGDTPMT
SCHEMBL8579431 0.66 ACHE (0.37) CHRNA4MAPTALDH1A1HPGDCYP3A4
SCHEMBL28157666 0.66 ACHE (0.42) CHRNA4SMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL219096 0.65 TUBB4A (0.55) MAPTALDH1A1HPGDCYP3A4TPMT
SCHEMBL28275397 0.65 TUBB4A (0.55) MAPTALDH1A1HPGDCYP3A4TPMT
SCHEMBL7075588 0.64 MAPT (0.35) MAPTALDH1A1HPGDCYP3A4TDP1

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-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 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 (3 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-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 CHRNA4 1920/4885SMN1; SMN2 4/4885PDF 246/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 CHRNA4 1920/4885SMN1; SMN2 4/4885PDF 246/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 CHRNA4 1920/4885SMN1; SMN2 4/4885PDF 246/4885

“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.