SCHEMBL3049255

SCHEMBL3049255

Cc1ccc(Cc2nsc(N3CCN(S(=O)(=O)c4ccc(C(=O)O)c(O)c4)CC3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.44
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.39
STAT3 P40763 2/20 0.39
STAT5B P51692 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39

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
SCHEMBL3059641 0.95 MCL1 (0.42) CNR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL3055762 0.84 LMNA (0.49) CNR1RAB9AMEN1KMT2ALMNA
SCHEMBL2007303 0.82 PKM (0.57) CNR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL3044491 0.81 L3MBTL1 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2010721 0.81 PKM (0.51) CNR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL2005265 0.81 SMN1; SMN2 (0.48) CNR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL2006592 0.81 MEN1 (0.47) CNR1POLBGAAPKMMEN1
SCHEMBL2007289 0.81 MEN1 (0.47) CNR1POLBGAAPKMMEN1
SCHEMBL13270956 0.80 CNR1 (0.42) CNR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL3063208 0.80 SCN9A (0.46) CNR1MEN1KMT2ALMNAL3MBTL1

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 3782/4885HDAC3 1034/4885HDAC4 527/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 CNR1 3782/4885HDAC3 1034/4885HDAC4 527/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 CNR1 3782/4885HDAC3 1034/4885HDAC4 527/4885

“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.