SCHEMBL3530334

SCHEMBL3530334

CC(C)(C(=O)O)C(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.49
MMP2 P08253 1/20 0.49
MMP3 P08254 1/20 0.49
MMP7 P09237 1/20 0.49
MMP9 P14780 1/20 0.49
MMP13 P45452 1/20 0.49
EEF2K O00418 2/20 0.48
ALKBH2 Q6NS38 1/20 0.48
ALKBH5 Q6P6C2 1/20 0.48
ALKBH3 Q96Q83 1/20 0.48
FTO Q9C0B1 1/20 0.48
SLC1A3 P43003 1/20 0.48
SLC1A2 P43004 1/20 0.48
SLC1A1 P43005 1/20 0.48
IDO1 P14902 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
KDM1A O60341 1/20 0.45
CNR2 P34972 1/20 0.45
FLT1 P17948 1/20 0.44

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
SCHEMBL19627390 0.86 MMP1 (0.51) MMP1MMP2MMP3MMP7MMP9
SCHEMBL3526536 0.83 CA1 (0.58) MMP1MMP2MMP7MMP9MMP13
SCHEMBL3531889 0.82 PPARA (0.55) MMP1MMP2MMP9MMP13CA1
SCHEMBL1951647 0.80 MMP1 (0.55) MMP1MMP2MMP3MMP7MMP9
SCHEMBL19630963 0.79 DHFR (0.61) MMP1MMP2MMP3MMP7MMP9
SCHEMBL24713395 0.79 MMP1 (0.57) MMP1MMP2MMP3MMP7MMP9
SCHEMBL14675663 0.78 MMP1 (0.51) MMP1MMP2MMP3MMP7MMP9
SCHEMBL29317746 0.77 MMP1 (0.48) MMP1MMP2MMP3MMP7MMP9
SCHEMBL22702710 0.76 MMP1 (0.51) MMP1MMP2MMP3MMP7MMP9
SCHEMBL19629753 0.76 MMP1 (0.51) MMP1MMP2MMP3MMP7MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-20060229336-A1 Ccr5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORPORATION 2006-10-12 US disclosed
CN-1744899-A Piperidine derivatives as CCR5 antagonists SMITHKLINE BEECHAM CORP (US) 2006-03-08 CN disclosed
EP-1569646-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-07 EP disclosed
WO-2004054974-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 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-20060229336-A1 Ccr5 antagonists as therapeutic agents CCR5, CCR1, CXCR3 MMP1 4083/4885MMP2 4368/4885MMP3 3393/4885

“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.