SCHEMBL2202652

SCHEMBL2202652

CC(C)(C)OC(=O)Cn1cc(-c2nnc(Cl)c3ccccc23)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.41
PDE4D Q08499 3/20 0.41
GAA P10253 1/20 0.40
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
RAB9A P51151 1/20 0.36
CAMK2D Q13557 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL1758074 0.77 PTGDR2 (0.48) ALDH1A1KDM4ERAB9A
SCHEMBL8530934 0.75 MEN1 (0.59) GAAALDH1A1KDM4EPOLBMAPT
SCHEMBL7815624 0.74 MEN1 (0.45) PDE4BPDE4DGAAALDH1A1KDM4E
SCHEMBL8530927 0.74 GAA (0.49) GAAALDH1A1KDM4EPOLBMAPT
SCHEMBL17023509 0.73 GAA (0.58) GAAALDH1A1KDM4EPOLBMAPT
SCHEMBL2203836 0.72 GAA (0.39) GAAALDH1A1KDM4EPOLBMAPT
SCHEMBL19208816 0.72 GAA (0.56) GAAALDH1A1KDM4EPOLBLMNA
SCHEMBL8598898 0.72 ALDH1A1 (0.70) GAAALDH1A1POLBMAPTLMNA
SCHEMBL2206918 0.72 PTGDR2 (0.53)
SCHEMBL1757156 0.72 PTGDR2 (0.45) ALDH1A1KDM4ECYP2C9CYP2C19

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-7981912-B2 Indole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH LLC (US) 2011-07-19 US disclosed
US-20100016389-A1 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH (US) 2010-01-21 US disclosed
US-7601749-B2 Indole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH (US) 2009-10-13 US disclosed
EP-1805171-A4 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH CORP (US) 2009-05-13 EP disclosed
US-20090111867-A1 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH (US) 2009-04-30 US disclosed
US-7476667-B2 Indole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH (US) 2009-01-13 US disclosed
US-20080255100-A1 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH (US) 2008-10-16 US disclosed
US-7405215-B2 Indole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH (US) 2008-07-29 US disclosed
EP-1805171-A2 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF Athersys, Inc. (US) 2007-07-11 EP disclosed
US-20060100425-A1 Indole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof ATHERSYS, INC. 2006-05-11 US disclosed
WO-2006034419-A2 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF ATHERSYS, INC. (US) 2006-03-30 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-20060100425-A1 Indole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof PTGDR2, TBXA2R, HCAR2 PDE4B 1313/4885PDE4D 1291/4885GAA 4027/4885
US-20080255100-A1 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF PTGDR2, TBXA2R, HCAR2 PDE4B 1313/4885PDE4D 1291/4885GAA 4027/4885
US-20100016389-A1 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF PTGDR2, TBXA2R, HCAR2 PDE4B 1313/4885PDE4D 1291/4885GAA 4027/4885
US-20090111867-A1 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF PTGDR2, TBXA2R, HCAR2 PDE4B 1313/4885PDE4D 1291/4885GAA 4027/4885

“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.