SCHEMBL1833792

SCHEMBL1833792

Cc1ccc(S(=O)(=O)n2cc(CN(C)C(=O)OC(C)(C)C)c(F)c2-c2cccnc2F)cn1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.32
KAT5 Q92993 2/20 0.32
MMP2 P08253 2/20 0.31
MMP9 P14780 2/20 0.31
MMP8 P22894 2/20 0.31
MMP13 P45452 2/20 0.31
HTR2C P28335 3/20 0.31
SLC6A4 P31645 3/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
F2 P00734 2/20 0.31
HTR2A P28223 1/20 0.31
KAT8 Q9H7Z6 1/20 0.30
SSTR4 P31391 1/20 0.30

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
SCHEMBL4570001 0.91 OXTR (0.34) KAT6AKAT5MMP2MMP9MMP8
SCHEMBL2411042 0.91 HTR6 (0.33) KAT6AKAT5HTR2CSLC6A4F2
SCHEMBL2409441 0.90 HTR2C (0.35) KAT6AKAT5MMP2MMP9MMP8
SCHEMBL1834426 0.88 HTR2C (0.33) KAT6AKAT5HTR2CSLC6A4HTR2A
SCHEMBL2194090 0.88 PTGDR2 (0.33) MMP2MMP9MMP8MMP13ATM
SCHEMBL1832665 0.88 RORC (0.35) KAT6AKAT5HTR2CSLC6A4F2
SCHEMBL2413759 0.88 RORC (0.36) KAT6AKAT5HTR2CSLC6A4HTR2A
SCHEMBL1832149 0.87 HTR2C (0.33) KAT6AKAT5HTR2CSLC6A4F2
SCHEMBL4420269 0.87 HTR6 (0.37) HTR2CSLC6A4F2HTR2AKAT8
SCHEMBL1832615 0.86 TACR1 (0.33) HTR2CSLC6A4HTR2ASSTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172275-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 US disclosed
EP-2318390-A1 PYRROLE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2011-05-11 EP disclosed
WO-2010024451-A1 PYRROLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 WO 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-20110172275-A1 PYRROLE COMPOUNDS PRLHR, C1R, C1S KAT6A 689/4885KAT5 1523/4885MMP2 4146/4885

“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.