SCHEMBL5653853

SCHEMBL5653853

CC1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1ccc(C#C[Si](C)(C)C)s1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMO Q99835 15/20 0.41
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
SLC6A7 Q99884 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
SCHEMBL5653850 1.00 SMO (0.41) SMOMMP1MMP3MMP7MMP9
SCHEMBL5347198 0.86 MMP1 (0.41) SMOMMP1MMP3MMP7MMP9
SCHEMBL5341355 0.86 MMP1 (0.41) SMOMMP1MMP3MMP7MMP9
SCHEMBL5323845 0.81 MMP1 (0.49) SMOMMP1MMP3MMP7MMP9
SCHEMBL5319379 0.81 MMP1 (0.49) SMOMMP1MMP3MMP7MMP9
SCHEMBL5322548 0.81 MMP1 (0.43) SMOMMP1MMP3MMP7MMP9
SCHEMBL5326286 0.81 MAPT (0.49) MMP1MMP3MMP7MMP9MMP13
SCHEMBL5322626 0.81 MAPT (0.49) MMP1MMP3MMP7MMP9MMP13
SCHEMBL5652538 0.80 SMO (0.45) SMOMMP1MMP3MMP7MMP9
SCHEMBL5653521 0.79 SLC6A7 (0.47) SMOMMP1MMP3MMP7MMP9

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-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 SMO 3378/4885MMP1 3234/4885MMP3 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.