SCHEMBL587616

SCHEMBL587616

COC(=O)N1CC[C@H](c2cc(=O)[nH]o2)C[C@H]1Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLG P00747 7/20 0.41
HRH3 Q9Y5N1 1/20 0.39
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
HTR2C P28335 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.35
CCR5 P51681 1/20 0.35
HCRTR2 O43614 1/20 0.35
EPHX2 P34913 1/20 0.35
CCR2 P41597 1/20 0.35
EGLN2 Q96KS0 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
EGLN3 Q9H6Z9 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 1.00 PLG (0.41) PLGHRH3CCNA2CDK2CCNA1
SCHEMBL586984 1.00 PLG (0.41) PLGHRH3CCNA2CDK2CCNA1
SCHEMBL581900 1.00 PLG (0.41) PLGHRH3CCNA2CDK2CCNA1
SCHEMBL587340 0.93 PLG (0.54) PLGHRH3CCNA2CDK2CCNA1
SCHEMBL587177 0.90 PLG (0.43) PLGHRH3CCNA2CDK2CCNA1
SCHEMBL582135 0.89 PLG (0.43) PLGHRH3CYP3A4
SCHEMBL3085052 0.89 PLG (0.43) PLGHRH3CYP3A4
SCHEMBL587413 0.89 PLG (0.43) PLGHRH3CYP3A4
SCHEMBL3068999 0.89 PLG (0.43) PLGHRH3CYP3A4
SCHEMBL581779 0.89 PLG (0.43) PLGHRH3CYP3A4

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 PLG 4861/4885HRH3 394/4885CCNA2 2172/4885

“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.