SCHEMBL5652959

SCHEMBL5652959

CC1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1ccc(-c2ccncn2)s1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.51
MMP8 P22894 4/20 0.43
MMP3 P08254 3/20 0.43
ALDH1A1 P00352 1/20 0.42
SLC6A7 Q99884 1/20 0.42
SMO Q99835 5/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP7 P09237 1/20 0.42
CYP2C19 P33261 4/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP3A4 P08684 1/20 0.41
GFER P55789 1/20 0.39

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
SCHEMBL14366931 0.91 MMP8 (0.52) MMP8MMP3ALDH1A1SLC6A7SMO
SCHEMBL5652388 0.88 SMO (0.50) SLC6A7SMOCYP2C19CYP2D6CYP2C9
SCHEMBL5653521 0.88 SLC6A7 (0.47) MMP8MMP3ALDH1A1SLC6A7SMO
SCHEMBL5653667 0.86 GRM5 (0.46) GSK3BMMP8MMP3ALDH1A1SLC6A7
SCHEMBL5652538 0.84 SMO (0.45) MMP3SLC6A7SMOMMP1MMP7
SCHEMBL5654349 0.84 SMO (0.53) MMP3SLC6A7SMOMMP1MMP7
SCHEMBL5653175 0.84 SMO (0.45) MMP8MMP3ALDH1A1SLC6A7SMO
SCHEMBL5655058 0.83 GSK3B (0.40) GSK3BMMP8MMP3ALDH1A1SLC6A7
SCHEMBL5652861 0.83 SMO (0.46) MMP3SLC6A7SMOMMP1MMP7
SCHEMBL5656800 0.83 SMO (0.44) MMP8MMP3ALDH1A1SLC6A7SMO

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-20070259879-A1 Piperazine and piperidine biaryl derivatives TRIMERIS, INC. 2007-11-08 US disclosed
US-20070259879-A1 Piperazine and piperidine biaryl derivatives TRIMERIS, INC. 2007-11-08 US disclosed
US-20070259879-A1 Piperazine and piperidine biaryl derivatives TRIMERIS, INC. 2007-11-08 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-20070259879-A1 Piperazine and piperidine biaryl derivatives CYP3A5, CYP3A43, CCR5 GSK3B 1122/4885MMP8 3776/4885MMP3 1583/4885

“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.