SCHEMBL586804

SCHEMBL586804

COC(=O)N1CC[C@@H](c2cc(=O)[nH]o2)C[C@H]1c1cccc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLG P00747 2/20 0.40
GUSB P08236 1/20 0.40
ALDH1A1 P00352 1/20 0.39
USP5 P45974 1/20 0.39
LMNA P02545 3/20 0.38
RECQL P46063 1/20 0.38
DRD2 P14416 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HCRTR2 O43614 1/20 0.37
MAPT P10636 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
PIK3C3 Q8NEB9 2/20 0.37
CCR2 P41597 2/20 0.37
SLC6A9 P48067 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36

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
SCHEMBL3063030 1.00 PLG (0.40) PLGGUSBALDH1A1USP5LMNA
SCHEMBL3085301 1.00 PLG (0.40) PLGGUSBALDH1A1USP5LMNA
SCHEMBL580990 1.00 PLG (0.40) PLGGUSBALDH1A1USP5LMNA
SCHEMBL587074 0.92 PLG (0.41) PLG
SCHEMBL3073135 0.92 PLG (0.41) PLG
SCHEMBL581380 0.92 PLG (0.41) PLG
SCHEMBL3069533 0.90 PLG (0.42) PLGALDH1A1POLB
SCHEMBL588248 0.90 PLG (0.42) PLGALDH1A1POLB
SCHEMBL598012 0.90 PLG (0.42) PLGALDH1A1POLB
SCHEMBL580825 0.90 PLG (0.42) PLGALDH1A1POLB

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 PLG 4861/4885GUSB 4226/4885ALDH1A1 2598/4885

“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.