SCHEMBL4185075

SCHEMBL4185075

COc1ccc(COc2cc(O)c(NC(=O)OC(C)(C)C)cc2Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 3/20 0.51
CYP2C9 P11712 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
MKNK2 Q9HBH9 1/20 0.45
LMNA P02545 3/20 0.45
POLB P06746 3/20 0.45
CYP3A4 P08684 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 3/20 0.42
GAA P10253 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39

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
SCHEMBL4185038 0.85 KDM4E (0.58) ALDH1A1KDM4ECYP2C9CYP1A2CYP2C19
SCHEMBL31166794 0.82 CYP2C9 (0.43) ALDH1A1KDM4ECYP2C9CYP1A2CYP2C19
SCHEMBL2792741 0.81 ALDH1A1 (0.46) ALDH1A1KDM4ELMNAPOLBMEN1
SCHEMBL3613914 0.76 ALDH1A1 (0.53) ALDH1A1KDM4ECYP2C9CYP1A2CYP2C19
SCHEMBL31372038 0.76 NPC1 (0.46) ALDH1A1CYP1A2CYP2C19LMNAPOLB
SCHEMBL2795277 0.76 NPC1 (0.46) ALDH1A1CYP1A2CYP2C19LMNAPOLB
SCHEMBL1792176 0.76 ALDH1A1 (0.52) ALDH1A1KDM4ECYP2C9CYP1A2CYP2C19
SCHEMBL1950961 0.75 MRGPRX4 (0.54) ALDH1A1KDM4ECYP2C9CYP1A2CYP2C19
SCHEMBL3933561 0.74 ALDH1A1 (0.53) ALDH1A1KDM4ECYP2C9CYP1A2CYP2C19
SCHEMBL3910099 0.74 MAOB (0.53) ALDH1A1KDM4ECYP1A2CYP2C19LMNA

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-20090176815-A1 Novel Tricyclic Spiropiperidine Compounds, Their Synthesis and Their Uses as Modulators of Chemokine Receptor Activity ASTRAZENECA AB (SE) 2009-07-09 US disclosed
EP-2069355-A1 NOVEL TRICYCLIC SPIROPIPERIDINE COMPOUNDS, THEIR SYNTHESIS AND THEIR USES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2009-06-17 EP disclosed
US-20080167332-A1 Novel Compounds 243 ASTRAZENECA AB (SE) 2008-07-10 US disclosed
WO-2008010765-A1 NOVEL TRICYCLIC SPIROPIPERIDINE COMPOUNDS, THEIR SYNTHESIS AND THEIR USES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2008-01-24 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 (2 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-20080167332-A1 Novel Compounds 243 UGT1A10, ABCG2, VKORC1L1 ALDH1A1 407/4885KDM4E 2805/4885CYP2C9 36/4885
US-20090176815-A1 Novel Tricyclic Spiropiperidine Compounds, Their Synthesis and Their Uses as Modulators of Chemokine Receptor Activity ACKR3, CCR2, CCR5 ALDH1A1 648/4885KDM4E 4622/4885CYP2C9 448/4885

“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.