SCHEMBL508530

SCHEMBL508530

CCOC(=O)CCc1c(C)n[nH]c1C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.53
MAPK1 P28482 3/20 0.45
KDM4E B2RXH2 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 1/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
GFER P55789 1/20 0.42
TNKS2 Q9H2K2 1/20 0.41
AR P10275 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
SCHEMBL23754134 0.84 PDE4D (0.50) PDE4DMAPK1KDM4EL3MBTL1ALDH1A1
SCHEMBL509207 0.83 PDE4D (0.56) PDE4DMAPK1KDM4EALDH1A1HPGD
SCHEMBL18770441 0.78 CYP1A2 (0.43) PDE4DKDM4EL3MBTL1ALDH1A1HPGD
SCHEMBL18770533 0.78 CYP1A2 (0.43) PDE4DKDM4EL3MBTL1ALDH1A1HPGD
SCHEMBL27919832 0.75 SMN1; SMN2 (0.46) PDE4DMAPK1KDM4EALDH1A1SMN1; SMN2
SCHEMBL10618549 0.73 CYP4F2 (0.46) MAPK1KDM4EL3MBTL1ALDH1A1HPGD
SCHEMBL27834208 0.72 L3MBTL1 (0.52) MAPK1KDM4EL3MBTL1ALDH1A1HPGD
SCHEMBL31297128 0.72 CYP1A2 (0.46) MAPK1KDM4EL3MBTL1ALDH1A1HPGD
SCHEMBL13202074 0.72 MAPK1 (0.59) MAPK1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL27834209 0.71 L3MBTL1 (0.55) MAPK1KDM4EL3MBTL1ALDH1A1HPGD

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-2528901-B9 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2017-01-25 EP disclosed
EP-2528901-B1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2015-05-27 EP disclosed
US-8791272-B2 Pyrazole compounds as CRTH2 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-29 US disclosed
CN-102884051-A Pyrazole compounds as CRTH2 antagonists BOEHRINGER INGELHEIM INT 2013-01-16 CN disclosed
EP-2528901-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-12-05 EP disclosed
US-20120028938-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
WO-2011092140-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 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 (1 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-20120028938-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS HRH2, HRH1, HRH3 PDE4D 1549/4885MAPK1 1681/4885KDM4E 4438/4885

“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.