SCHEMBL508150

SCHEMBL508150

CCc1[nH]nc(C)c1CC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.38
PDE4D Q08499 1/20 0.38
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
IGF1R P08069 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TTR P02766 1/20 0.31
GLA P06280 1/20 0.31
AR P10275 1/20 0.31
P2RX7 Q99572 1/20 0.30
LMNA P02545 3/20 0.30
MTNR1A P48039 3/20 0.30
MTNR1B P49286 3/20 0.30

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
SCHEMBL508354 0.85 P2RX7 (0.43) HCAR2KDM4EALDH1A1TTRP2RX7
SCHEMBL508531 0.83 P2RX7 (0.43) PDE4DMEN1KMT2AARP2RX7
SCHEMBL14556063 0.83 PDE4D (0.49) HCAR2PDE4DMAPK1L3MBTL1KMT2A
SCHEMBL509202 0.73 MTNR1A (0.42) MAPK1L3MBTL1GAAKDM4EALDH1A1
SCHEMBL9608998 0.72 KDM4E (0.35) PDE4DMAPK1MEN1KMT2AKDM4E
SCHEMBL16381536 0.70 HCAR2 (0.41) HCAR2PDE4DMAPK1L3MBTL1MEN1
SCHEMBL13096279 0.68 MTNR1A (0.41) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL508945 0.68 P2RX7 (0.31) KDM4EP2RX7LMNAMTNR1AMTNR1B
SCHEMBL14556059 0.66 HCAR2 (0.39) HCAR2PDE4DMAPK1L3MBTL1MEN1
SCHEMBL9609104 0.66 RAB9A (0.43) PDE4DMAPK1MEN1KMT2AKDM4E

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 6 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
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 HCAR2 406/4885PDE4D 1549/4885MAPK1 1681/4885

“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.