SCHEMBL3520756

SCHEMBL3520756

CC(C(F)C(=O)O)(C(F)C(=O)O)C(F)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
ALDH1A1 P00352 4/20 0.36
MAPT P10636 2/20 0.36
PTGS1 P23219 1/20 0.36
TP53 P04637 1/20 0.35
LMNA P02545 1/20 0.30
THRB P10828 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL7279241 0.81
SCHEMBL1708138 0.79
SCHEMBL27742869 0.79
SCHEMBL27601379 0.79
SCHEMBL28976446 0.77 ALDH1A1 (0.33) TSHRALDH1A1MAPTPTGS1TP53
SCHEMBL21295105 0.75 ALDH1A1 (0.36) TSHRALDH1A1MAPTPTGS1TP53
SCHEMBL27477795 0.73 ALDH1A1 (0.35) TSHRALDH1A1MAPTPTGS1
SCHEMBL27783691 0.73 MAPT (0.35) TSHRALDH1A1MAPTPTGS1
SCHEMBL27928016 0.73 ALDH1A1 (0.31) TSHRALDH1A1MAPTPTGS1
SCHEMBL4821291 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786305-B2 Tetrahydropyranyl cyclopentyl tetrahydropyridopyridine modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. (US) 2010-08-31 US disclosed
EP-1501507-B1 TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROPYRIDOPYRIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2008-05-28 EP disclosed
US-7230008-B2 Tetrahydropyranyl cyclopentyl tetrahydropyridopyridine modulators of chemokine receptor activity MERCK & CO, INC. (US) 2007-06-12 US disclosed
EP-1501507-A4 TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROPYRIDOPYRIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2006-05-17 EP disclosed
US-20060030582-A1 Tetrahydropyranyl cyclopentyl tetrahydropyridopyridine modulators of chemokine receptor activity DEMARTINO JULIE 2006-02-09 US disclosed
US-20050107422-A1 Tetrahydropyranyl cyclopentyl tetrahydropyridopyridine modulators of chemokine receptor activity MERCK SHARP & DOHME LLC 2005-05-19 US disclosed
US-20050101628-A1 Tetrahydropyranyl cyclopentyl tetrahydropyridopyridine modulators of chemokine receptor activity MERCK SHARP & DOHME LLC 2005-05-12 US disclosed
EP-1501507-A2 TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROPYRIDOPYRIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2005-02-02 EP disclosed
US-6812234-B2 CCR-2; INFLAMMATORY, IMMUNOREGULATORY, ALLERGIC, AND AUTOIMMUNE DISORDERS AND DISEASES MERCK & CO., INC. 2004-11-02 US disclosed
US-20040167156-A1 TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROPYRIDOPYRIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK SHARP & DOHME LLC 2004-08-26 US disclosed
WO-2003092586-A2 TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROPYRIDOPYRIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2003-11-13 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 (4 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-20060030582-A1 Tetrahydropyranyl cyclopentyl tetrahydropyridopyridine modulators of chemokine receptor activity CCR1, CCR2, CCR5 TSHR 277/4885ALDH1A1 2012/4885MAPT 3858/4885
US-20050107422-A1 Tetrahydropyranyl cyclopentyl tetrahydropyridopyridine modulators of chemokine receptor activity CCR1, CCR9, CCR2 TSHR 293/4885ALDH1A1 2141/4885MAPT 3972/4885
US-20050101628-A1 Tetrahydropyranyl cyclopentyl tetrahydropyridopyridine modulators of chemokine receptor activity CCR2, CCR9, CCR1 TSHR 317/4885ALDH1A1 2240/4885MAPT 4485/4885
US-20040167156-A1 TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROPYRIDOPYRIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CCRL2, CCR5 TSHR 447/4885ALDH1A1 1905/4885MAPT 4313/4885

“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.