SCHEMBL13698385

SCHEMBL13698385

CC1CN(c2nc(Cc3ccc(F)cc3)ns2)CCN1S(=O)(=O)c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCKR Q14397 2/20 0.49
IDH1 O75874 1/20 0.41
KDM4E B2RXH2 2/20 0.40
PKM P14618 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 1/20 0.38
HSD11B1 P28845 3/20 0.38
NAAA Q02083 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 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
SCHEMBL2008890 0.87 HSD11B1 (0.46) HSD11B1
SCHEMBL2011821 0.86 L3MBTL1 (0.43) HSD11B1
SCHEMBL3060442 0.84 PKM (0.56) GCKRKDM4EPKMALDH1A1MAPT
SCHEMBL4685105 0.83 HSD11B1 (0.43) ALDH1A1TSHRHSD11B1
SCHEMBL2007974 0.83 HSD11B1 (0.43) ALDH1A1TSHRHSD11B1
SCHEMBL2011871 0.82 HSD11B1 (0.39) HSD11B1
SCHEMBL2006217 0.81 HSD11B1 (0.49) HSD11B1
SCHEMBL2006369 0.80 HSD11B1 (0.50) MAPTHSD11B1
SCHEMBL12569133 0.80 HSD11B1 (0.51) HSD11B1
SCHEMBL3052287 0.79 HSD11B1 (0.44) HSD11B1NAAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 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 (1 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 GCKR 4505/4885IDH1 3680/4885KDM4E 4164/4885

“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.