SCHEMBL4137828

SCHEMBL4137828

CN(Cc1cc(-c2nccn2C)c(S(=O)(=O)c2ccccc2)s1)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.36
SLC6A4 P31645 4/20 0.36
F2 P00734 3/20 0.35
GLS O94925 2/20 0.34
GBA1 P04062 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDK1 Q15118 1/20 0.32
RORC P51449 1/20 0.32
AGTR2 P50052 2/20 0.32
BRD4 O60885 1/20 0.31
PDK2 Q15119 1/20 0.31

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
SCHEMBL4126163 0.88 PDK1 (0.36) SMN1; SMN2PDK1BRD4
SCHEMBL4130961 0.84 HTR2C (0.37) HTR2CSLC6A4F2GLSGBA1
SCHEMBL4118500 0.82 HTR2C (0.36) HTR2CSLC6A4F2GLSGBA1
SCHEMBL3650554 0.81 HTR2C (0.37) HTR2CSLC6A4F2GLSGBA1
SCHEMBL3652834 0.79 HTR2C (0.34) HTR2CSLC6A4F2GLSGBA1
SCHEMBL3693347 0.78 BRD4 (0.36) HTR2CAGTR2BRD4
SCHEMBL3654644 0.78 HTR2C (0.38) HTR2CSLC6A4F2GLSGBA1
Hydrochloric Acid SCHEMBL3645132 0.77 GLS (0.34) HTR2CSLC6A4F2GLSPDK2
Hydrochloric Acid SCHEMBL4132294 0.77 BRD4 (0.37) BRD4
SCHEMBL3654948 0.76 F2 (0.35) HTR2CSLC6A4F2GLSAGTR2

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
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 HTR2C 2565/4885SLC6A4 3372/4885F2 2233/4885

“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.