SCHEMBL3530778

SCHEMBL3530778

CC(CNC(=O)c1ccc[nH]1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47

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
SCHEMBL13840109 0.85 KDM4E (0.56) KDM4ELMNAPOLBHDAC3HDAC4
SCHEMBL31469605 0.78 KDM4E (0.55) KDM4ELMNAPOLBHDAC3HDAC4
SCHEMBL28929404 0.77 NPC1 (0.62) KDM4ELMNAPOLB
SCHEMBL2781925 0.76 KDM4E (0.61) KDM4ELMNAPOLBHDAC3HDAC4
SCHEMBL24349636 0.75 HDAC3 (0.57) KDM4ELMNAPOLBHDAC3HDAC4
SCHEMBL10767093 0.75 NPC1 (0.59) LMNAPOLB
SCHEMBL8823828 0.75 NPC1 (0.59) LMNAPOLB
SCHEMBL4658952 0.75 KDM4E (0.59) KDM4ELMNAPOLBHDAC3HDAC4
SCHEMBL3242636 0.75 KDM4E (0.55) KDM4ELMNAPOLBHDAC3HDAC4
SCHEMBL18912367 0.74 TP53 (0.48)

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-20060229336-A1 Ccr5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORPORATION 2006-10-12 US 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 KDM4E 4644/4885LMNA 4206/4885POLB 1541/4885

“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.