SCHEMBL4028528

SCHEMBL4028528

CCOC(=O)C(Cc1ccc(C#N)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.51
LDHA P00338 1/20 0.45
CYP2A6 P11509 1/20 0.44
MAOB P27338 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
CTSG P08311 2/20 0.43
RAB9A P51151 1/20 0.43
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 1/20 0.42
PPARA Q07869 1/20 0.42
CMA1 P23946 1/20 0.41

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
SCHEMBL2672524 0.94 MMP8 (0.50) MMP8CYP2A6MAOBALDH1A1TP53
SCHEMBL5329020 0.90 MMP8 (0.47) MMP8CYP2A6MAOBALDH1A1TP53
SCHEMBL533901 0.88 MMP8 (0.46) MMP8CYP2A6MAOBALDH1A1TP53
SCHEMBL13886467 0.86 PPARG (0.53) LDHAMAOBHTTPPARA
SCHEMBL3103660 0.84 LDHA (0.52) LDHACYP2A6MAOBHTTMAPT
SCHEMBL2672529 0.83 MAOB (0.44) LDHACYP2A6MAOBRAB9AHTT
SCHEMBL28305791 0.82 CYP2A6 (0.44) CYP2A6MAOBCTSGRAB9ASMN1; SMN2
SCHEMBL6161194 0.82 DPP4 (0.47) CYP2A6MAOBALDH1A1CTSGRAB9A
SCHEMBL14051467 0.82 EPHX2 (0.52) CYP2A6RAB9ATDP1MAPTPPARA
SCHEMBL5109806 0.82 DPP4 (0.47) CYP2A6MAOBALDH1A1CTSGRAB9A

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 9 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
EP-1244648-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-10-02 EP disclosed
US-20020077339-A1 Chemokine receptor binding heterocyclic compounds ANORMED CORPORATION (CA) 2002-06-20 US disclosed
WO-2001044229-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2001-06-21 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-20070060591-A1 Chemokine receptor binding heterocyclic compounds CCR5, ACKR3, CCR2 MMP8 1817/4885LDHA 4291/4885CYP2A6 4613/4885
US-20040102428-A1 Chemokine receptor binding heterocyclic compounds CCR5, ACKR3, CCR2 MMP8 1817/4885LDHA 4291/4885CYP2A6 4613/4885
US-20020077339-A1 Chemokine receptor binding heterocyclic compounds CCR5, ACKR3, CCR2 MMP8 1817/4885LDHA 4291/4885CYP2A6 4613/4885
US-20060069129-A1 Chemokine receptor binding heterocyclic compounds CCR5, ACKR3, CCR2 MMP8 1817/4885LDHA 4291/4885CYP2A6 4613/4885

“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.