SCHEMBL3529438

SCHEMBL3529438

CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 2/20 0.41
DPP4 P27487 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
THRB P10828 1/20 0.38
RECQL P46063 1/20 0.38
IKBKB O14920 1/20 0.37
NSD2 O96028 2/20 0.36
MAPT P10636 3/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL13545108 0.88 ALDH1A1 (0.38) WDR5ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL13684165 0.86 NSD2 (0.38) WDR5ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL13684654 0.85 ALDH1A1 (0.37) WDR5ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL3527829 0.84 GSTO1 (0.44) WDR5DPP4ALDH1A1KDM4EHSD17B10
SCHEMBL13542979 0.84 ALDH1A1 (0.38) WDR5ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL27621339 0.78 TSHR (0.47) WDR5ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL4033630 0.77 WDR5 (0.48) WDR5ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL3526637 0.76 DPP4 (0.48) WDR5DPP4ALDH1A1KDM4EHSD17B10
SCHEMBL3528844 0.76 CA1 (0.49) DPP4ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL11595561 0.75 POLB (0.62) ALDH1A1KDM4EHSD17B10LMNASMN1; SMN2

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 4 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

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 WDR5 3711/4885DPP4 3697/4885ALDH1A1 2787/4885

“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.