SCHEMBL20177134

SCHEMBL20177134

CN1CCN(c2ccnc(N)c2)S1(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.46
PIK3C3 Q8NEB9 5/20 0.40
HTR5A P47898 1/20 0.39
USP30 Q70CQ3 2/20 0.38
NOS3 P29474 3/20 0.37
NOS1 P29475 3/20 0.37
NOS2 P35228 3/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 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
SCHEMBL18608874 0.82 PIK3C3 (0.40) PIK3C3HTR5AUSP30
SCHEMBL20216282 0.79 KCNH2 (0.54) KCNH2USP30NOS3NOS1NOS2
SCHEMBL17233037 0.74 USP30 (0.44) KCNH2USP30
SCHEMBL20177129 0.74 PIK3C3 (0.44) KCNH2PIK3C3
SCHEMBL17233437 0.73 PIK3C3 (0.39) KCNH2PIK3C3NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL8807386 0.72 MAPT (0.47) PIK3C3HTR5AKDM4EMEN1KMT2A
SCHEMBL3173446 0.72 GAA (0.60) KDM4EMEN1KMT2AROCK2ROCK1
SCHEMBL18609161 0.72 KCNH2 (0.71) KCNH2
SCHEMBL22574230 0.71 PIK3C3 (0.42) PIK3C3HTR5AKDM4EMEN1KMT2A
SCHEMBL20215529 0.70 KCNH2 (0.68) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180141940-A1 SALT FORM AND CRYSTAL FORM OF 1,2,5-THIADIAZOLIDIN-1,1-DIOXIDE, PREPARATION METHOD THEREOF AND INTERMEDIATE JIANGSU KANION PARMACEUTICAL CO. LTD (CN) 2018-05-24 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-20180141940-A1 SALT FORM AND CRYSTAL FORM OF 1,2,5-THIADIAZOLIDIN-1,1-DIOXIDE, PREPARATION METHOD THEREOF AND INTERMEDIATE SPIN1, SULT1A1, NAP1L1 KCNH2 1420/4885PIK3C3 1337/4885HTR5A 1555/4885

“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.