SCHEMBL3055856

SCHEMBL3055856

Cc1oncc1S(=O)(=O)N1CCN(c2nc(Cc3ccc(F)cc3)ns2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.41
MAPK1 P28482 2/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 1/20 0.39
TNF P01375 1/20 0.39
NOD1 Q9Y239 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 2/20 0.38
PKM P14618 2/20 0.38
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 1/20 0.37
ATM Q13315 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL2010721 0.81 PKM (0.51) MAPK1TSHRHTTSMN1; SMN2PKM
SCHEMBL2008654 0.80 ALDH1A1 (0.48) RAB9ATSHRNPC1TNFNOD1
SCHEMBL2009542 0.79 ALDH1A1 (0.50) MAPK1TSHRHTTSMN1; SMN2MAPT
SCHEMBL2005153 0.79 PKM (0.54) RAB9AMAPK1TSHRHTTSMN1; SMN2
SCHEMBL2012534 0.78 HSD11B1 (0.59) SMN1; SMN2POLBPKMALDH1A1L3MBTL1
SCHEMBL2006326 0.77 ALDH1A1 (0.50) SMN1; SMN2POLBPKMALDH1A1L3MBTL1
SCHEMBL2003352 0.77 ALDH1A1 (0.50) MAPK1TSHRHTTSMN1; SMN2MAPT
SCHEMBL1021267 0.77 MAPT (0.52) RAB9AMAPK1TSHRHTTNPC1
SCHEMBL3055668 0.76 CYP17A1 (0.43) MAPK1SMN1; SMN2POLBPKMALDH1A1
SCHEMBL3060442 0.76 PKM (0.56) MAPK1TSHRNPC1SMN1; SMN2POLB

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 RAB9A 2845/4885MAPK1 1449/4885TSHR 3338/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 RAB9A 2845/4885MAPK1 1449/4885TSHR 3338/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 RAB9A 2845/4885MAPK1 1449/4885TSHR 3338/4885

“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.