SCHEMBL3068797

SCHEMBL3068797

O=S(=O)(CCC(F)(F)F)N1CCCN(c2nc(Cc3ccc(F)cc3)ns2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.39
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CNR2 P34972 1/20 0.34
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
ADAMTS4 O75173 1/20 0.33
MMP13 P45452 1/20 0.33
MMP14 P50281 1/20 0.33
HTR6 P50406 1/20 0.33
PKM P14618 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 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
SCHEMBL3062246 0.96 MAPK1 (0.39) CNR1KMT2AMAPK1ALDH1A1L3MBTL1
SCHEMBL3053146 0.87 CNR1 (0.44) CNR1KMT2AMAPK1L3MBTL1CNR2
SCHEMBL3069155 0.87 CNR1 (0.44) CNR1KMT2AMAPK1CNR2LMNA
SCHEMBL3063159 0.86 CNR1 (0.44) CNR1KMT2AMAPK1ALDH1A1CNR2
SCHEMBL3053820 0.86 MMP13 (0.40) CNR1KMT2AMAPK1ALDH1A1L3MBTL1
SCHEMBL17102081 0.85 CNR1 (0.31) CNR1L3MBTL1CNR2HTR6MEN1
SCHEMBL3063266 0.82 L3MBTL1 (0.44) CNR1KMT2AMAPK1ALDH1A1L3MBTL1
SCHEMBL3062785 0.81 MAPK1 (0.38) CNR1KMT2AMAPK1ALDH1A1L3MBTL1
SCHEMBL3054896 0.80 L3MBTL1 (0.42) CNR1KMT2AMAPK1ALDH1A1L3MBTL1
SCHEMBL3046032 0.79 MMP13 (0.42) CNR1KMT2AMAPK1ALDH1A1L3MBTL1

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 CNR1 3782/4885KMT2A 1844/4885MAPK1 1449/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 CNR1 3782/4885KMT2A 1844/4885MAPK1 1449/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 CNR1 3782/4885KMT2A 1844/4885MAPK1 1449/4885

“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.