SCHEMBL3524481

SCHEMBL3524481

CS(=O)(=O)Nc1ccc(Cl)c(C(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.60
KDM4E B2RXH2 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
NPC1 O15118 1/20 0.60
MAPT P10636 1/20 0.60
RAB9A P51151 1/20 0.60
LMNA P02545 1/20 0.58
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 2/20 0.48
HSD17B10 Q99714 1/20 0.48
GAA P10253 2/20 0.48
PLA2G1B P04054 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
MAPK1 P28482 1/20 0.47
KIF11 P52732 1/20 0.46

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
SCHEMBL1016072 0.87 ACLY (0.58) LMNAALDH1A1HPGDHSD17B10GAA
SCHEMBL1120898 0.87 ALDH1A1 (0.53) POLBKDM4ETDP1NPC1MAPT
SCHEMBL26400599 0.85 IKBKB (0.52) POLBKDM4ETDP1NPC1MAPT
SCHEMBL29057788 0.85 POLB (0.62) POLBKDM4ETDP1NPC1MAPT
SCHEMBL22032826 0.84 LMNA (0.62) POLBKDM4EMAPTLMNAMEN1
SCHEMBL13869087 0.83 CYP3A4 (0.46) POLBHPGDGAAMAPK1
SCHEMBL13719925 0.83 EPHX2 (0.49) LMNAALDH1A1HPGDGAAMAPK1
SCHEMBL1120797 0.81 EPHX2 (0.44) LMNAALDH1A1HPGDGAAMAPK1
SCHEMBL14594642 0.81 ALDH1A1 (0.59) POLBKDM4ETDP1MAPTMEN1
SCHEMBL912551 0.80 BRAF (0.56) POLBKDM4ETDP1NPC1MAPT

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 POLB 1541/4885KDM4E 4644/4885TDP1 3136/4885

“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.