SCHEMBL508366

SCHEMBL508366

Cc1c(CC(=O)OC(C)(C)C)cnn1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
HTT P42858 1/20 0.41
NR1D1 P20393 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
PTGDR2 Q9Y5Y4 4/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
P2RY14 Q15391 1/20 0.38
SLC29A1 Q99808 1/20 0.38
AR P10275 1/20 0.38
TGM2 P21980 1/20 0.37

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
SCHEMBL509016 0.87 PTGDR2 (0.40) LMNAHTTNR1D1PDE4APDE4B
SCHEMBL508180 0.84 NPC1 (0.43) LMNAPTGDR2KMT2AALDH1A1
SCHEMBL10996751 0.77 MAPT (0.53) LMNAHTTNR1D1KMT2AMEN1
SCHEMBL508775 0.74 PTGDR2 (0.48) LMNAHTTNR1D1PDE4APDE4B
SCHEMBL508765 0.74 PTGDR2 (0.51) PTGDR2
SCHEMBL28881348 0.70 RAB9A (0.45) LMNAHTTKMT2AMEN1ALDH1A1
SCHEMBL12195291 0.70 KDM4E (0.56) LMNAHTTALDH1A1MAPT
SCHEMBL16656263 0.70 KDM4E (0.56) LMNAHTTALDH1A1MAPT
SCHEMBL12466468 0.69 LMNA (0.48) LMNAPTGDR2KMT2AMEN1
SCHEMBL30796999 0.69 TSHR (0.51) LMNANR1D1ALDH1A1MAPT

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 LMNA 3633/4885HTT 4212/4885NR1D1 35/4885

“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.