SCHEMBL1786969

SCHEMBL1786969

CC(=O)Nc1ccc(OC(C)=O)cc1OC[C@@H]1CO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
GLA P06280 2/20 0.44
GAA P10253 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
BRD4 O60885 4/20 0.41
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.39
PTK2 Q05397 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 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
SCHEMBL6206966 1.00 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDHSD17B10GLA
SCHEMBL3815180 0.89 ALDH1A1 (0.53) ALDH1A1HSD17B10GAAMAPTLMNA
SCHEMBL4214562 0.89 ALDH1A1 (0.53) ALDH1A1HSD17B10GAAMAPTLMNA
SCHEMBL3860431 0.89 ALDH1A1 (0.53) ALDH1A1HSD17B10GAAMAPTLMNA
SCHEMBL3205373 0.84 TSHR (0.49) ALDH1A1KDM4EGLATSHRMAPT
SCHEMBL5205180 0.84 TSHR (0.49) ALDH1A1KDM4EGLATSHRMAPT
SCHEMBL3806023 0.84 TSHR (0.49) ALDH1A1KDM4EGLATSHRMAPT
SCHEMBL3805744 0.84 EPHX1 (0.47) ALDH1A1HSD17B10GLATSHRMAPT
SCHEMBL3222025 0.82 TSHR (0.46) ALDH1A1KDM4EHSD17B10GLAGAA
SCHEMBL1951762 0.82 TSHR (0.46) ALDH1A1KDM4EHSD17B10GLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124613-A1 Novel Combination of Compounds to be Used in the Treatment of Airway Diseases, Especially Chronic Obstructive Pulmonary Disease (COPD) and Asthma ASTRAZENECA AB (SE) 2011-05-26 US disclosed
US-20090298861-A1 Novel tricyclic spiroderivatives as modulators of chemokine receptor activity HOSSAIN NAFIZAL 2009-12-03 US disclosed
US-7524856-B2 Tricyclic spiroderivatives as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2009-04-28 US disclosed
US-20090062322-A1 Novel Tricyclic Spiropiperidines or Spiropyrrolidines ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-7449475-B2 Tricyclic spiropiperidines or spiropyrrolidines ASTRAZENECA AB (SE) 2008-11-11 US disclosed
EP-1521757-B1 TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES ASTRAZENECA AB (SE) 2008-01-30 EP disclosed
US-20070203230-A1 Novel Tricyclic Spiroderivatives as Modulators of Chemokine Receptor Activity ASTRAZENECA AB 2007-08-30 US disclosed
US-20070203229-A1 Novel Tricyclic Spiroderivatives as Modulators of Chemokine Receptor Activity ASTRAZENECA AB (SE) 2007-08-30 US disclosed
US-20070099945-A1 Novel tricyclic spiroderivatives as modulators of chemokine receptor acitivity ASTRAZENECA AB (SE) 2007-05-03 US disclosed
US-20070021498-A1 Novel tricyclic spiroderivatives as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2007-01-25 US disclosed
EP-1699791-A1 NOVEL TRICYCLIC SPIRODERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2006-09-13 EP disclosed
EP-1678156-A1 NOVEL TRICYCLIC SPIRODERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2006-07-12 EP disclosed
US-20050245741-A1 Novel tricyclic spiropiperidines or spiropyrrolidines ASTRAZENECA AB (SE) 2005-11-03 US disclosed
WO-2005061499-A1 NOVEL TRICYCLIC SPIRODERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 WO disclosed
WO-2005037814-A1 NOVEL TRICYCLIC SPIRODERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2005-04-28 WO disclosed
EP-1521757-A1 NOVEL TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES AstraZeneca AB (SE) 2005-04-13 EP disclosed
WO-2004005295-A1 NOVEL TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES ASTRAZENECA AB (SE) 2004-01-15 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 (8 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-20090062322-A1 Novel Tricyclic Spiropiperidines or Spiropyrrolidines REN, TACR1, AGTR1 ALDH1A1 1465/4885KDM4E 2276/4885HPGD 2996/4885
US-20070099945-A1 Novel tricyclic spiroderivatives as modulators of chemokine receptor acitivity ACKR3, CXCR1, CXCR2 ALDH1A1 707/4885KDM4E 4545/4885HPGD 492/4885
US-20070203230-A1 Novel Tricyclic Spiroderivatives as Modulators of Chemokine Receptor Activity CXCR1, CXCR2, CXCR4 ALDH1A1 1603/4885KDM4E 4136/4885HPGD 1439/4885
US-20070203229-A1 Novel Tricyclic Spiroderivatives as Modulators of Chemokine Receptor Activity CXCR1, CXCR2, CXCR4 ALDH1A1 1603/4885KDM4E 4136/4885HPGD 1439/4885
US-20110124613-A1 Novel Combination of Compounds to be Used in the Treatment of Airway Diseases, Especially Chronic Obstructive Pulmonary Disease (COPD) and Asthma GRK5, ADRB2, GRK2 ALDH1A1 1412/4885KDM4E 2432/4885HPGD 904/4885
US-20050245741-A1 Novel tricyclic spiropiperidines or spiropyrrolidines REN, TACR1, AGTR1 ALDH1A1 1375/4885KDM4E 2324/4885HPGD 2978/4885
US-20090298861-A1 Novel tricyclic spiroderivatives as modulators of chemokine receptor activity CXCR1, CXCR2, CXCR4 ALDH1A1 946/4885KDM4E 4477/4885HPGD 680/4885
US-20070021498-A1 Novel tricyclic spiroderivatives as modulators of chemokine receptor activity CXCR1, CXCR2, CXCR4 ALDH1A1 1292/4885KDM4E 4056/4885HPGD 1416/4885

“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.