SCHEMBL580880

SCHEMBL580880

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLG P00747 11/20 0.41
CYP3A4 P08684 2/20 0.36
NAAA Q02083 1/20 0.34
CTSK P43235 1/20 0.34
TACR1 P25103 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RORC P51449 1/20 0.33

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
SCHEMBL581973 1.00 PLG (0.41) PLGCYP3A4NAAACTSKTACR1
SCHEMBL581234 1.00 PLG (0.41) PLGCYP3A4NAAACTSKTACR1
SCHEMBL587277 1.00 PLG (0.41) PLGCYP3A4NAAACTSKTACR1
SCHEMBL581779 0.92 PLG (0.43) PLGCYP3A4TACR1
SCHEMBL582135 0.92 PLG (0.43) PLGCYP3A4TACR1
SCHEMBL3085052 0.92 PLG (0.43) PLGCYP3A4TACR1
SCHEMBL3068999 0.92 PLG (0.43) PLGCYP3A4TACR1
SCHEMBL587413 0.92 PLG (0.43) PLGCYP3A4TACR1
SCHEMBL3078613 0.92 PLG (0.41) PLGTACR1
SCHEMBL582272 0.92 PLG (0.41) PLGTACR1

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 4861/4885CYP3A4 21/4885NAAA 4070/4885

“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.