SCHEMBL3060852

SCHEMBL3060852

Cc1ccc(Oc2ccc(Cc3nsc(N4CCN(S(=O)(=O)c5cccc(C#N)c5)CC4)n3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.45
GBA1 P04062 1/20 0.41
CNR1 P21554 1/20 0.41
CFTR P13569 1/20 0.39
GPR6 P46095 1/20 0.39
CYP17A1 P05093 2/20 0.38
CYP21A2 P08686 2/20 0.38
CYP11B1 P15538 2/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 1/20 0.38
HSD11B1 P28845 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 2/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 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
SCHEMBL3063330 0.90 L3MBTL1 (0.44) SCN9AGBA1CNR1CFTRGPR6
SCHEMBL3055780 0.87 TRPV4 (0.41) CNR1GPR6MAPT
SCHEMBL3063208 0.85 SCN9A (0.46) SCN9ACNR1LMNAMAPTL3MBTL1
SCHEMBL3058037 0.84 MAPT (0.46) GBA1CNR1ALDH1A1GAAHSD11B1
SCHEMBL3053345 0.83 MAPT (0.40) CNR1ALDH1A1GAAUSP2LMNA
SCHEMBL3062212 0.83 PKM (0.44) GBA1CNR1ALDH1A1USP2LMNA
SCHEMBL3059277 0.83 CFTR (0.42) CNR1CFTRALDH1A1GAAHSD11B1
SCHEMBL3054823 0.82 KMT2A (0.43) CNR1ALDH1A1HSD11B1USP2LMNA
SCHEMBL3054850 0.82 NPSR1 (0.54) CNR1ALDH1A1GAAKDM4EHSD17B10
SCHEMBL3055511 0.82 SMYD3 (0.40) GBA1CNR1HSD11B1

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 SCN9A 3960/4885GBA1 14/4885CNR1 3782/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 SCN9A 3960/4885GBA1 14/4885CNR1 3782/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 SCN9A 3960/4885GBA1 14/4885CNR1 3782/4885

“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.