SCHEMBL508438

SCHEMBL508438

CC(C)(C)[SiH2]OC(C)(C)c1ccc(Br)cn1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.33
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL3387689 0.79 KDM4E (0.37) ALDH1A1KDM4E
SCHEMBL31169366 0.78 GBA1 (0.36) GBA1ALDH1A1KDM4E
SCHEMBL1818004 0.78 GBA1 (0.36) GBA1ALDH1A1KDM4E
SCHEMBL15001188 0.77 GBA1 (0.35) GBA1ALDH1A1KDM4E
SCHEMBL15001209 0.77 GBA1 (0.35) GBA1ALDH1A1KDM4E
SCHEMBL15001190 0.77 GBA1 (0.35) GBA1ALDH1A1KDM4E
SCHEMBL9983523 0.74 BACE1 (0.41)
SCHEMBL1818566 0.74 GBA1 (0.41) GBA1ALDH1A1KDM4E
SCHEMBL19062001 0.74 GBA1 (0.33) GBA1ALDH1A1KDM4E
SCHEMBL13825564 0.73 BACE1 (0.42)

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 GBA1 2202/4885ALDH1A1 763/4885KDM4E 4438/4885

“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.