SCHEMBL3063191

SCHEMBL3063191

COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCN(c3nc(Cc4ccc(Oc5ccc(C)cc5)cc4)ns3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.47
MAPK1 P28482 3/20 0.44
POLB P06746 2/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
USP2 O75604 2/20 0.43
KMT2A Q03164 5/20 0.42
GAA P10253 2/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
CNR1 P21554 2/20 0.41
HTT P42858 3/20 0.40
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL3051158 0.96 RAB9A (0.50) RAB9AMAPK1POLBALDH1A1SMN1; SMN2
SCHEMBL3056348 0.84 CNR1 (0.44) ALDH1A1KMT2AMEN1CNR1LMNA
SCHEMBL3066601 0.79 MAPT (0.48) POLBALDH1A1SMN1; SMN2USP2KMT2A
SCHEMBL3060129 0.79 KMT2A (0.46) POLBALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL3051603 0.78 CNR1 (0.42) RAB9AMAPK1ALDH1A1KMT2AGAA
SCHEMBL3063208 0.78 SCN9A (0.46) SMN1; SMN2KMT2AMEN1L3MBTL1CNR1
SCHEMBL3059277 0.77 CFTR (0.42) RAB9AMAPK1ALDH1A1SMN1; SMN2USP2
SCHEMBL3059814 0.77 CNR1 (0.55) RAB9AMAPK1POLBALDH1A1SMN1; SMN2
SCHEMBL3062212 0.77 PKM (0.44) POLBALDH1A1SMN1; SMN2USP2KMT2A
SCHEMBL2012893 0.77 KMT2A (0.53) RAB9AMAPK1POLBALDH1A1SMN1; SMN2

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 RAB9A 2845/4885MAPK1 1449/4885POLB 3933/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 RAB9A 2845/4885MAPK1 1449/4885POLB 3933/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 RAB9A 2845/4885MAPK1 1449/4885POLB 3933/4885

“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.