SCHEMBL3527747

SCHEMBL3527747

COC(=O)c1ccc(Cl)c(C(=O)NCc2ccc(OC)cc2OC)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.56
TAS1R1 Q7RTX1 2/20 0.56
ALDH1A1 P00352 3/20 0.56
GAA P10253 2/20 0.56
HPGD P15428 2/20 0.56
PKM P14618 1/20 0.56
HTT P42858 1/20 0.56
PPARG P37231 1/20 0.55
TP53 P04637 3/20 0.52
LMNA P02545 2/20 0.52
RXFP1 Q9HBX9 1/20 0.52
MAPT P10636 2/20 0.52
TSHR P16473 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NAMPT P43490 1/20 0.48
POLB P06746 1/20 0.48
APLNR P35414 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
SCHEMBL3524782 0.91 TAS1R3 (0.59) TAS1R3TAS1R1ALDH1A1GAAHPGD
SCHEMBL13544744 0.91 TAS1R3 (0.56) TAS1R3TAS1R1ALDH1A1GAAHPGD
SCHEMBL13544741 0.86 PPARG (0.61) TAS1R3TAS1R1ALDH1A1GAAHPGD
SCHEMBL13544514 0.86 PPARG (0.61) TAS1R3TAS1R1ALDH1A1GAAHPGD
SCHEMBL3530201 0.85 TAS1R3 (0.57) TAS1R3TAS1R1ALDH1A1GAAHPGD
SCHEMBL23985899 0.83 TAS1R3 (0.71) TAS1R3TAS1R1ALDH1A1GAAHPGD
SCHEMBL30305533 0.83 TAS1R3 (0.71) TAS1R3TAS1R1ALDH1A1GAAHPGD
SCHEMBL24914439 0.80 TAS1R3 (0.66) TAS1R3TAS1R1ALDH1A1GAAHPGD
SCHEMBL27203144 0.76 ALDH1A1 (0.54) TAS1R3TAS1R1ALDH1A1GAAHPGD
SCHEMBL13544740 0.76 MAPT (0.61) TAS1R3TAS1R1ALDH1A1GAAHPGD

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 6 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
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 TAS1R3 1603/4885TAS1R1 1155/4885ALDH1A1 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.