SCHEMBL3055859

SCHEMBL3055859

Cc1ccc(Cc2nsc(N3CCN(S(=O)(=O)C4CCCCC4)CC3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.47
CHRM4 P08173 1/20 0.41
HTR6 P50406 1/20 0.36
TSHR P16473 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
FAAH O00519 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
CYP17A1 P05093 1/20 0.33
CYP21A2 P08686 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
DPP4 P27487 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
SCHEMBL3063230 0.99 CNR1 (0.48) CNR1CHRM4HTR6TSHRGPR119
SCHEMBL3055176 0.94 CNR1 (0.47) CNR1CHRM4HTR6TSHRMEN1
SCHEMBL3056235 0.92 CNR1 (0.46) CNR1CHRM4HTR6GPR119ALDH1A1
SCHEMBL3061707 0.90 CNR1 (0.46) CNR1CHRM4HTR6TSHRGPR119
SCHEMBL3062905 0.89 CYP17A1 (0.39) CNR1CHRM4HTR6ALDH1A1CYP3A4
SCHEMBL3062089 0.89 CHRM4 (0.39) CNR1CHRM4HTR6ALDH1A1MEN1
SCHEMBL3054590 0.88 CYP17A1 (0.39) CNR1CHRM4HTR6ALDH1A1CYP3A4
SCHEMBL3058172 0.88 CNR1 (0.38) CNR1CHRM4HTR6ALDH1A1MEN1
SCHEMBL3067470 0.87 CNR1 (0.47) CNR1HTR6GPR119ALDH1A1MEN1
SCHEMBL3061323 0.86 CHRM4 (0.39) CNR1CHRM4MEN1CYP3A4CYP2C9

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 3782/4885CHRM4 4734/4885HTR6 2304/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 CNR1 3782/4885CHRM4 4734/4885HTR6 2304/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 CNR1 3782/4885CHRM4 4734/4885HTR6 2304/4885

“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.