SCHEMBL508180

SCHEMBL508180

Cc1c(CC(=O)OC(C)(C)C)cnn1Cc1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
PTGDR2 Q9Y5Y4 3/20 0.42
TSHR P16473 2/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.34
PPIB P23284 1/20 0.33
PPIA P62937 1/20 0.33
PPID Q08752 1/20 0.33
PPIG Q13427 1/20 0.33
PREP P48147 1/20 0.33
XDH P47989 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL508366 0.84 LMNA (0.41) LMNAPTGDR2ALDH1A1KMT2A
SCHEMBL2311866 0.79 PTGDR2 (0.60) PTGDR2
SCHEMBL508786 0.79 PTGDR2 (0.41) PTGDR2MTNR1AMTNR1BALDH1A1KMT2A
SCHEMBL479237 0.74 MTNR1A (0.46) LMNAMTNR1AMTNR1BALDH1A1SMN1; SMN2
SCHEMBL508813 0.72 PTGDR2 (0.51) PTGDR2PREP
SCHEMBL508120 0.71 PTGDR2 (0.54) PTGDR2
SCHEMBL21503264 0.71 GRM2 (0.43) PTGDR2ALDH1A1SMN1; SMN2KMT2ATP53
SCHEMBL509016 0.71 PTGDR2 (0.40) LMNAPTGDR2ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4353321 0.70 PTGDR2 (0.61) PTGDR2TSHRALDH1A1SMN1; SMN2KMT2A
SCHEMBL27451229 0.67 NR1H4 (0.48) TSHRMTNR1AMTNR1BALDH1A1KDM4E

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 NPC1 2377/4885LMNA 3633/4885PTGDR2 29/4885

“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.