SCHEMBL3048997

SCHEMBL3048997

CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCN(c2nc(C(O)c3ccc(Oc4ccccc4)cc3)ns2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
LMNA P02545 4/20 0.34
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
CHRM4 P08173 2/20 0.34
KMT2A Q03164 2/20 0.33
RAB9A P51151 2/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 4/20 0.33
MEN1 O00255 1/20 0.33
EPHX2 P34913 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL3064525 0.90 SMN1; SMN2 (0.42) LMNAALDH1A1SMN1; SMN2KMT2ARAB9A
SCHEMBL3058392 0.89 SMN1; SMN2 (0.45) LMNAALDH1A1SMN1; SMN2KMT2ARAB9A
SCHEMBL3045937 0.88 ALDH1A1 (0.41) DCTPP1LMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL3066650 0.84 KMT2A (0.46) LMNAALDH1A1SMN1; SMN2KMT2ARAB9A
SCHEMBL3060136 0.84 MAPT (0.43) LMNAALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL3058433 0.84 MAPT (0.40) CHRM4KMT2AMAPTNPSR1
SCHEMBL3065745 0.84 ALDH1A1 (0.43) LMNAALDH1A1SMN1; SMN2KMT2ARAB9A
SCHEMBL3051045 0.82 SCN9A (0.45) LMNAALDH1A1SMN1; SMN2KMT2ARAB9A
SCHEMBL3054778 0.82 MAPT (0.49) LMNAALDH1A1SMN1; SMN2KMT2AHPGD
SCHEMBL3051116 0.82 L3MBTL1 (0.51) LMNAALDH1A1SMN1; SMN2KMT2ARAB9A

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 DCTPP1 2916/4885MMP2 4094/4885MMP9 4228/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 DCTPP1 2916/4885MMP2 4094/4885MMP9 4228/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 DCTPP1 2916/4885MMP2 4094/4885MMP9 4228/4885

“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.