SCHEMBL3063971

SCHEMBL3063971

O=C(O)c1ccc(S(=O)(=O)N2CCN(c3nc(C(O)c4ccc(Oc5ccccc5)cc4)ns3)CC2)cc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 1/20 0.41
IGFBP3 P17936 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
BCL2L1 Q07817 1/20 0.39
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38

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
SCHEMBL3055610 0.87 KMT2A (0.48) ALDH1A1CTDSP1TDP1KDM4EKMT2A
SCHEMBL3058392 0.85 SMN1; SMN2 (0.45) SMN1; SMN2LMNAALDH1A1TSHRHTT
SCHEMBL3064525 0.82 SMN1; SMN2 (0.42) SMN1; SMN2LMNAALDH1A1TSHRHTT
SCHEMBL3054766 0.80 POLB (0.40) MCL1SMN1; SMN2LMNAALDH1A1TSHR
SCHEMBL3060136 0.80 MAPT (0.43) SMN1; SMN2LMNAALDH1A1HTTKDM4E
SCHEMBL3066650 0.80 KMT2A (0.46) SMN1; SMN2LMNAALDH1A1L3MBTL1TSHR
SCHEMBL3053688 0.80 ACHE (0.46) SMN1; SMN2LMNAALDH1A1PKMFAAH
SCHEMBL3051045 0.79 SCN9A (0.45) SMN1; SMN2LMNAALDH1A1L3MBTL1TSHR
SCHEMBL3054778 0.79 MAPT (0.49) SMN1; SMN2LMNAALDH1A1TSHRHTT
SCHEMBL3046067 0.79 LMNA (0.48) SMN1; SMN2LMNAALDH1A1TSHRKMT2A

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 3332/4885SMN1; SMN2 4/4885LMNA 1113/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MCL1 3332/4885SMN1; SMN2 4/4885LMNA 1113/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MCL1 3332/4885SMN1; SMN2 4/4885LMNA 1113/4885

“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.