SCHEMBL508489

SCHEMBL508489

COC(=O)Cc1c(C)nn(Cc2ccccc2[N+](=O)[O-])c1C

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 0.49
TSHR P16473 1/20 0.46
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL508973 0.81 PTGDR2 (0.51) PTGDR2
SCHEMBL509330 0.80 LMNA (0.56) PTGDR2
SCHEMBL509847 0.79 PTGDR2 (0.49) PTGDR2
SCHEMBL509141 0.78 GAA (0.64) PTGDR2GAANPC1
SCHEMBL29923859 0.76 MEN1 (0.58) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL908565 0.76 MEN1 (0.58) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL19951208 0.76 GAA (0.60) TSHRGAAMAPTMEN1NPC1
SCHEMBL508924 0.73 PTGDR2 (0.55) PTGDR2
SCHEMBL508771 0.73 PTGDR2 (0.47) PTGDR2TSHR
SCHEMBL10087451 0.73 PDGFRB (0.50) TSHRMAPTMEN1NPC1RAB9A

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 4 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
US-20120028938-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US 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 PTGDR2 29/4885TSHR 292/4885GAA 1922/4885

“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.