SCHEMBL5652990

SCHEMBL5652990

CC1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1ccc(-c2cccs2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GBA1 P04062 1/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
ABL1 P00519 4/20 0.39
BCR P11274 4/20 0.39
GCKR Q14397 2/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2D6 P10635 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
SCHEMBL5652538 0.88 SMO (0.45) MMP1MMP3MMP7MMP9MMP13
SCHEMBL5322126 0.86 GCKR (0.51) ALDH1A1RAB9ALMNAALOX15TSHR
SCHEMBL5652388 0.85 SMO (0.50) MMP13HTTL3MBTL1CYP2D6CYP2C9
SCHEMBL5653521 0.85 SLC6A7 (0.47) ALDH1A1MMP1MMP3MMP7MMP9
SCHEMBL14367061 0.84 LMNA (0.50) NPC1ALDH1A1RAB9ALMNAALOX15
SCHEMBL14366931 0.84 MMP8 (0.52) ALDH1A1MMP1MMP3MMP7MMP13
SCHEMBL5652861 0.82 SMO (0.46) MMP1MMP3MMP7MMP9MMP13
SCHEMBL5326286 0.82 MAPT (0.49) ALDH1A1LMNATSHRHSD17B10MMP1
SCHEMBL5322548 0.82 MMP1 (0.43) MMP1MMP3MMP7MMP9MMP13
SCHEMBL5322626 0.82 MAPT (0.49) ALDH1A1LMNATSHRHSD17B10MMP1

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 KDM4E 2203/4885NPC1 723/4885ALDH1A1 416/4885

“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.