SCHEMBL1550118

SCHEMBL1550118

CCOP(=O)(O)CC(=O)c1ccc(F)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.39
PPARG P37231 2/20 0.39
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
IDO1 P14902 2/20 0.35
FPR2 P25090 1/20 0.34
CES2 O00748 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
SLC6A9 P48067 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
SCHEMBL2325110 0.90 KCNK3 (0.37) EPHX2PPARGKMT2AALDH1A1L3MBTL1
SCHEMBL2324615 0.84 CES2 (0.45) KMT2AATMALDH1A1L3MBTL1CES2
SCHEMBL2325155 0.83 TSHR (0.36) KMT2AALDH1A1MEN1LMNAGAA
SCHEMBL1549681 0.82 KMT2A (0.42) KMT2AMEN1P2RX7
SCHEMBL2324778 0.81 CES2 (0.45) KMT2AATMALDH1A1CES2MEN1
SCHEMBL1550115 0.80 KMT2A (0.40) EPHX2PPARGKMT2AATMTHRA
SCHEMBL1549852 0.79 HTT (0.41) KMT2AMEN1LMNA
SCHEMBL2331699 0.78 RAB9A (0.40) KMT2AALDH1A1KCNK3KCNK9MEN1
SCHEMBL27775828 0.77 KMT2A (0.40) EPHX2PPARGKMT2AATMTHRA
SCHEMBL2028898 0.77 KMT2A (0.46) EPHX2PPARGKMT2AATMTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501940-B2 Tetrahydrocinnoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-08-06 US disclosed
EP-1904455-B1 PYRIDAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-17 EP disclosed
EP-2313375-A1 TETRAHYDROCINNOLINES AS 11 BETA HSD1 INHIBITORS FOR DIABETES F. Hoffmann-La Roche AG (CH) 2011-04-27 EP disclosed
US-7678795-B2 Pyridazines as 11b-HSD1 inhibitors HOFFMAN-LA ROCHE INC. (US) 2010-03-16 US disclosed
WO-2010006940-A1 TETRAHYDROCINNOLINES AS 11 BETA HSD1 INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 WO disclosed
US-20100016325-A1 TETRAHYDROCINNOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2010-01-21 US disclosed
EP-1904455-A2 PYRIDAZINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-04-02 EP disclosed
US-20070010519-A1 New pyridazines as 11B-HSD1 inhibitors HOFFMANN-LA ROCHE INC. 2007-01-11 US disclosed
WO-2007003521-A2 PYRIDAZINE DERIVATIVES AS 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-11 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-20100016325-A1 TETRAHYDROCINNOLINE DERIVATIVES CYP27A1, CYP11B1, DHCR7 EPHX2 2234/4885PPARG 276/4885KMT2A 3598/4885
US-20070010519-A1 New pyridazines as 11B-HSD1 inhibitors HSD11B1, HSD17B1, HSD17B11 EPHX2 1352/4885PPARG 678/4885KMT2A 2891/4885

“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.