SCHEMBL4032571

SCHEMBL4032571

CCOP(=O)(OCC)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC(F)(F)CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.55
ALDH1A1 P00352 3/20 0.53
POLB P06746 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
MCOLN3 Q8TDD5 1/20 0.45
GAA P10253 1/20 0.44
LMNA P02545 2/20 0.43
GBA1 P04062 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL3537955 0.90 ALDH1A1 (0.66) PKMALDH1A1POLBKMT2AMEN1
SCHEMBL4028241 0.87 PKM (0.55) PKMALDH1A1POLBKMT2AMEN1
SCHEMBL3540197 0.83 ALDH1A1 (0.56) PKMALDH1A1POLBKMT2AMEN1
SCHEMBL4032573 0.83 PKM (0.51) PKMALDH1A1POLBKMT2AMEN1
SCHEMBL4033939 0.78 ALDH1A1 (0.64) PKMALDH1A1POLBKMT2AMEN1
SCHEMBL5347059 0.73 ALDH1A1 (0.97) PKMALDH1A1POLBKMT2AMEN1
SCHEMBL2360974 0.73 ALDH1A1 (0.84) PKMALDH1A1POLBKMT2AMEN1
SCHEMBL4028245 0.72 PKM (0.51) PKMALDH1A1POLBKMT2AMEN1
SCHEMBL28137833 0.71 ALDH1A1 (1.00) PKMALDH1A1POLBKMT2AMEN1
SCHEMBL2061369 0.69 PKM (0.76) PKMALDH1A1POLBKMT2AMEN1

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
EP-1244648-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS GENZYME CORP (US) 2009-04-15 EP disclosed
US-20070060591-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2007-03-15 US disclosed
US-7022717-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2006-04-04 US disclosed
US-20060069129-A1 Chemokine receptor binding heterocyclic compounds BRIDGER GARY J 2006-03-30 US disclosed
US-20040102428-A1 Chemokine receptor binding heterocyclic compounds ANORMED CORPORATION (CA) 2004-05-27 US disclosed
US-6667320-B2 For therapy of infalmmation; asthma, cancer, arthritis, multiple sclerosis; prophylaxis of infection of target cells by a human immunodeficiency virus (HIV) ANORMED (CA) 2003-12-23 US disclosed
US-20020077339-A1 Chemokine receptor binding heterocyclic compounds ANORMED CORPORATION (CA) 2002-06-20 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 (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-20070060591-A1 Chemokine receptor binding heterocyclic compounds CCR5, ACKR3, CCR2 PKM 1780/4885ALDH1A1 3141/4885POLB 1285/4885
US-20040102428-A1 Chemokine receptor binding heterocyclic compounds CCR5, ACKR3, CCR2 PKM 1780/4885ALDH1A1 3141/4885POLB 1285/4885
US-20020077339-A1 Chemokine receptor binding heterocyclic compounds CCR5, ACKR3, CCR2 PKM 1780/4885ALDH1A1 3141/4885POLB 1285/4885
US-20060069129-A1 Chemokine receptor binding heterocyclic compounds CCR5, ACKR3, CCR2 PKM 1780/4885ALDH1A1 3141/4885POLB 1285/4885

“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.