SCHEMBL185552

SCHEMBL185552

Nc1ccc(OCC(F)F)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.39
ABHD6 Q9BV23 1/20 0.39
FFAR4 Q5NUL3 9/20 0.38
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
THRB P10828 1/20 0.33
G6PD P11413 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AR P10275 1/20 0.33
LMNA P02545 1/20 0.33
ATM Q13315 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
SCHEMBL10352869 0.85 PDK2 (0.44) FFAR4MAPTMEN1ALDH1A1KMT2A
SCHEMBL10352551 0.81 FFAR1 (0.38) FFAR4MAPTMEN1KMT2AL3MBTL1
SCHEMBL5453278 0.81 MAPK1 (0.47) MAPTMEN1KMT2AARMAOB
SCHEMBL4230857 0.79 KMT2A (0.54) FFAR4MAPTMEN1ALDH1A1KMT2A
SCHEMBL10352867 0.78 PPARD (0.43) FFAR4MAPTMEN1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL185985 0.78 KMT2A (0.53) FFAR4MAPTMEN1ALDH1A1KMT2A
SCHEMBL5461057 0.77 PDK2 (0.43) FFAR4ALDH1A1THRBARGAA
SCHEMBL10352007 0.77 MAPT (0.48) FFAR4MAPTMEN1ALDH1A1KMT2A
SCHEMBL8189488 0.77 FFAR4 (0.41) FFAR4MAPTMEN1ALDH1A1KMT2A
SCHEMBL25919979 0.77 AR (0.39) FFAR4MAPTMEN1ALDH1A1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 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 (2 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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 MGLL 3326/4885ABHD6 4619/4885FFAR4 1544/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 MGLL 3326/4885ABHD6 4619/4885FFAR4 1544/4885

“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.