SCHEMBL3059641

SCHEMBL3059641

Cc1ccc(Oc2ccc(Cc3nsc(N4CCN(S(=O)(=O)c5ccc(C(=O)O)c(O)c5)CC4)n3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.42
CNR1 P21554 1/20 0.41
XDH P47989 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
STAT3 P40763 2/20 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
SCHEMBL3049255 0.95 CNR1 (0.44) CNR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL3063208 0.86 SCN9A (0.46) CNR1MEN1KMT2AMAPTL3MBTL1
SCHEMBL3058037 0.85 MAPT (0.46) CNR1PKMMEN1KMT2AMAPT
SCHEMBL3062212 0.84 PKM (0.44) CNR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL3054823 0.83 KMT2A (0.43) CNR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL3065977 0.82 KMT2A (0.53) PKMMEN1KMT2AMAPTPOLB
SCHEMBL3063398 0.82 ACHE (0.49) CNR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL3055305 0.81 TNF (0.50) MEN1KMT2APOLB
SCHEMBL2012893 0.81 KMT2A (0.53) PKMKMT2AMAPTL3MBTL1POLB
SCHEMBL3063330 0.80 L3MBTL1 (0.44) CNR1CYP2C9CYP2C19MEN1KMT2A

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 MCL1 3332/4885CNR1 3782/4885XDH 2691/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MCL1 3332/4885CNR1 3782/4885XDH 2691/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MCL1 3332/4885CNR1 3782/4885XDH 2691/4885

“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.