SCHEMBL587177

SCHEMBL587177

O=C(O)N1CCC(c2cc(=O)[nH]o2)CC1Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLG P00747 8/20 0.43
HRH3 Q9Y5N1 2/20 0.38
HTR2C P28335 1/20 0.36
TACR1 P25103 2/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
KMT2A Q03164 1/20 0.35
CCR5 P51681 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35

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
SCHEMBL582594 0.90 PLG (0.41) PLGHRH3HTR2CCCNA2CDK2
SCHEMBL586984 0.90 PLG (0.41) PLGHRH3HTR2CCCNA2CDK2
SCHEMBL587616 0.90 PLG (0.41) PLGHRH3HTR2CCCNA2CDK2
SCHEMBL581900 0.90 PLG (0.41) PLGHRH3HTR2CCCNA2CDK2
SCHEMBL581123 0.88 PLG (0.45) PLGTACR1EGLN1
SCHEMBL27853079 0.87 PLG (0.42) PLGHRH3HTR2CKMT2ACCR5
SCHEMBL580987 0.86 PLG (0.58) PLG
SCHEMBL581666 0.86 PLG (0.46) PLG
SCHEMBL581599 0.85 PLG (0.57) PLGTACR1
SCHEMBL27965526 0.85 PLG (0.41) PLGHRH3HTR2CCCNA2CDK2

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 4861/4885HRH3 394/4885HTR2C 305/4885

“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.