SCHEMBL581386

SCHEMBL581386

CCOC(=O)CC(=O)[C@H]1CCN(C(=O)OC)[C@H](Cc2ccc(C(F)(F)F)c(F)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.43
ALDH1A1 P00352 5/20 0.39
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
KDM4E B2RXH2 3/20 0.36
OPRK1 P41145 1/20 0.34
P2RX7 Q99572 1/20 0.34
TACR1 P25103 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KCNH2 Q12809 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
ATM Q13315 1/20 0.33
FFAR1 O14842 1/20 0.33
POLB P06746 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 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
SCHEMBL581385 1.00 EPHX2 (0.43) EPHX2ALDH1A1CYP11B1CYP11B2KDM4E
SCHEMBL582479 1.00 EPHX2 (0.43) EPHX2ALDH1A1CYP11B1CYP11B2KDM4E
SCHEMBL582790 0.90 ALDH1A1 (0.48) ALDH1A1KDM4EOPRK1MEN1KMT2A
SCHEMBL3074901 0.90 ALDH1A1 (0.48) ALDH1A1KDM4EOPRK1MEN1KMT2A
SCHEMBL3076755 0.90 ALDH1A1 (0.48) ALDH1A1KDM4EOPRK1MEN1KMT2A
SCHEMBL3074992 0.86 PPARG (0.43) ALDH1A1KDM4ETACR1MEN1KMT2A
SCHEMBL581270 0.86 PPARG (0.43) ALDH1A1KDM4ETACR1MEN1KMT2A
SCHEMBL582387 0.86 PPARG (0.43) ALDH1A1KDM4ETACR1MEN1KMT2A
SCHEMBL581848 0.86 ALDH1A1 (0.39) ALDH1A1KDM4EOPRK1P2RX7MEN1
SCHEMBL3069038 0.86 ALDH1A1 (0.39) ALDH1A1KDM4EOPRK1P2RX7MEN1

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
US-8415378-B2 Isoxazol-3(2H)-one analogs as therapeutic agents ASTRAZENECA AB (SE) 2013-04-09 US disclosed
EP-2417131-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS AstraZeneca AB (SE) 2012-02-15 EP disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 WO disclosed
US-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2010-10-14 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-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS NR4A3, CBR3, OXER1 EPHX2 3080/4885ALDH1A1 2598/4885CYP11B1 582/4885

“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.