SCHEMBL587859

SCHEMBL587859

COC(=O)C1CCN(C(=O)OC)C(Cc2ccc(OC(F)(F)F)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
HRH3 Q9Y5N1 1/20 0.42
EPHX2 P34913 6/20 0.42
OPRK1 P41145 1/20 0.42
ENPP2 Q13822 1/20 0.40
HTR2C P28335 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 3/20 0.39
CCR5 P51681 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.38
ATM Q13315 1/20 0.38
HSD11B1 P28845 1/20 0.38
KDM2B Q8NHM5 1/20 0.38

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
SCHEMBL581415 0.92 NOTUM (0.43) POLBHRH3EPHX2ENPP2HTR2C
SCHEMBL586823 0.87 TACR1 (0.44) HRH3OPRK1CYP3A4KMT2AALDH1A1
SCHEMBL588023 0.85 OPRK1 (0.45) OPRK1HTR2CCYP3A4CYP2D6CYP2C19
SCHEMBL3074789 0.85 POLB (0.46) POLBHRH3EPHX2ENPP2HTR2C
SCHEMBL581499 0.85 POLB (0.46) POLBHRH3EPHX2ENPP2HTR2C
SCHEMBL582606 0.85 POLB (0.46) POLBHRH3EPHX2ENPP2HTR2C
SCHEMBL587559 0.83 TACR1 (0.43) OPRK1CYP3A4KMT2AALDH1A1ATM
SCHEMBL586739 0.83 OPRK1 (0.50) OPRK1CYP3A4KMT2AALDH1A1MEN1
SCHEMBL581854 0.82 POLB (0.43) POLBHRH3EPHX2ENPP2KMT2A
SCHEMBL586837 0.81 ALDH1A1 (0.44) EPHX2OPRK1CYP3A4CYP2D6CYP2C19

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
US-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2010-10-14 US disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 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-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS NR4A3, CBR3, OXER1 POLB 4067/4885HRH3 394/4885EPHX2 3080/4885

“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.