SCHEMBL5654070

SCHEMBL5654070

Cc1cccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)c4ccccc4)CC3C)s2)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.45
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MMP8 P22894 4/20 0.40
MMP3 P08254 4/20 0.40
SMO Q99835 4/20 0.40
ERG P11308 1/20 0.40
TACR3 P29371 1/20 0.40
KCNH2 Q12809 1/20 0.40
CNR1 P21554 1/20 0.39
MMP1 P03956 2/20 0.39
MMP7 P09237 2/20 0.39
GHSR Q92847 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38

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
SCHEMBL5654274 0.89 SMO (0.39) HTTL3MBTL1ALDH1A1MMP8MMP3
SCHEMBL14366931 0.87 MMP8 (0.52) ALDH1A1MMP8MMP3SMOMMP1
SCHEMBL5652538 0.87 SMO (0.45) HTTL3MBTL1MMP3SMOCNR1
SCHEMBL5654387 0.87 SMO (0.41) HTTL3MBTL1ALDH1A1MMP8MMP3
SCHEMBL5654206 0.86 FASN (0.41) ALDH1A1MMP8MMP3SMOTACR3
SCHEMBL5653667 0.85 GRM5 (0.46) GRM5HTTL3MBTL1ALDH1A1MMP8
SCHEMBL5652388 0.85 SMO (0.50) HTTL3MBTL1SMOGHSRMMP13
SCHEMBL5653521 0.84 SLC6A7 (0.47) ALDH1A1MMP8MMP3SMOMMP1
SCHEMBL5652861 0.84 SMO (0.46) MMP3SMOMMP1MMP7GHSR
SCHEMBL5653713 0.83 SMO (0.40) HTTL3MBTL1MMP3SMOMMP1

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 GRM5 749/4885HTT 3642/4885L3MBTL1 4497/4885

“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.