SCHEMBL508956

SCHEMBL508956

CC(C(=O)CC(=O)C(C)c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.50
APAF1 O14727 1/20 0.48
GRM7 Q14831 2/20 0.47
POLB P06746 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ERCC1 P07992 1/20 0.46
ERCC4 Q92889 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
CYP2D6 P10635 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
MAPT P10636 1/20 0.44
SRC P12931 1/20 0.44
FAAH O00519 1/20 0.44

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
SCHEMBL7114570 0.91 PTGS2 (0.47) PTGS2APAF1GRM7POLBKMT2A
SCHEMBL2443856 0.90 MTNR1A (0.46) PTGS2APAF1GRM7POLBKMT2A
SCHEMBL28947058 0.88 CYP1A2 (0.46) PTGS2APAF1GRM7POLBKMT2A
SCHEMBL21331956 0.86 HPGD (0.57) PTGS2GRM7KMT2AMEN1CYP2D6
SCHEMBL11590994 0.86 MEN1 (0.45) PTGS2APAF1GRM7POLBKMT2A
SCHEMBL13389325 0.84 ALDH1A1 (0.50) PTGS2GRM7KMT2AMEN1CYP2D6
SCHEMBL10728103 0.84 PTGS2 (0.48) PTGS2APAF1CYP2D6SRCFAAH
SCHEMBL3410010 0.84 ALDH1A1 (0.50) PTGS2GRM7KMT2AMEN1CYP2D6
SCHEMBL4436336 0.83 FAAH (0.62) PTGS2APAF1KMT2AMTNR1AMTNR1B
SCHEMBL4588469 0.83 PTGS2 (0.47) PTGS2APAF1GRM7POLBKMT2A

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 PTGS2 242/4885APAF1 3232/4885GRM7 1647/4885

“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.