SCHEMBL581722

SCHEMBL581722

O=C(O)N1CCC(c2cc(=O)[nH]o2)CC1c1ccc(Cl)cc1F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLG P00747 12/20 0.41
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
KMT2A Q03164 1/20 0.35
OPRL1 P41146 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.33
PROKR1 Q8TCW9 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
USP30 Q70CQ3 1/20 0.32

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
SCHEMBL27869786 1.00 PLG (0.41) PLGGABRA1GABRG2GABRB3KMT2A
SCHEMBL27853135 1.00 PLG (0.41) PLGGABRA1GABRG2GABRB3KMT2A
SCHEMBL581423 0.91 PLG (0.43) PLGGABRA1GABRG2GABRB3
SCHEMBL3075689 0.90 PLG (0.43) PLGGABRA1GABRG2GABRB3
SCHEMBL581432 0.89 PLG (0.41) PLGKMT2AOPRL1TMEM97SIGMAR1
SCHEMBL581495 0.89 PLG (0.41) PLGKMT2AOPRL1TMEM97SIGMAR1
SCHEMBL582182 0.89 PLG (0.41) PLGKMT2AOPRL1TMEM97SIGMAR1
SCHEMBL581433 0.89 PLG (0.41) PLGKMT2AOPRL1TMEM97SIGMAR1
SCHEMBL3075343 0.87 PLG (0.42) PLGGABRA1GABRG2GABRB3KMT2A
SCHEMBL27869837 0.87 PLG (0.42) PLGGABRA1GABRG2GABRB3KMT2A

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 5 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
CN-102459246-A Isoxazol-3 (2H) -one analogs as therapeutic agents ASTRAZENECA AB 2012-05-16 CN 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 4861/4885GABRA1 237/4885GABRG2 435/4885

“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.