Sugi Predict

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SCHEMBL3051045

SCHEMBL3051045

N#Cc1cccc(S(=O)(=O)N2CCCN(c3nc(C(O)c4ccc(Oc5ccccc5)cc4)ns3)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 5/20 0.45
▸ GBA1 P04062 2/20 0.42
▸ MAPT P10636 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ PGR P06401 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ GPR6 P46095 1/20 0.38
▸ BCL9 O00512 1/20 0.36
▸ CTNNB1 P35222 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3066650 0.91 KMT2A (0.46) SCN9AGBA1MAPTKMT2ANPSR1
SCHEMBL3058433 0.88 MAPT (0.40) MAPTKMT2ANPSR1GPR6
SCHEMBL3058392 0.88 SMN1; SMN2 (0.45) MAPTKMT2AALDH1A1TSHRHPGD
SCHEMBL3055610 0.84 KMT2A (0.48) SCN9AGBA1MAPTKMT2AALDH1A1
SCHEMBL3064525 0.84 SMN1; SMN2 (0.42) GBA1MAPTKMT2AALDH1A1TSHR
SCHEMBL3057070 0.83 ALDH1A1 (0.39) KMT2ANPSR1ALDH1A1TSHRMAPK1
SCHEMBL3065745 0.83 ALDH1A1 (0.43) GBA1MAPTKMT2AALDH1A1TSHR
SCHEMBL3059500 0.82 NPSR1 (0.53) MAPTKMT2ANPSR1ALDH1A1TSHR
SCHEMBL3048997 0.82 DCTPP1 (0.34) MAPTKMT2ANPSR1ALDH1A1TSHR
SCHEMBL3054766 0.82 POLB (0.40) MAPTKMT2ANPSR1ALDH1A1TSHR

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 SCN9A 3960/4885GBA1 14/4885MAPT 9/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 SCN9A 3960/4885GBA1 14/4885MAPT 9/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 SCN9A 3960/4885GBA1 14/4885MAPT 9/4885

“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.