SCHEMBL580853

SCHEMBL580853

COC(=O)C1CCNC(Cc2cc(F)ccc2F)C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.48
DPP7 Q9UHL4 3/20 0.48
DPP9 Q86TI2 3/20 0.48
DPP8 Q6V1X1 2/20 0.48
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
CYP3A4 P08684 1/20 0.41
PLG P00747 2/20 0.39
SLC6A3 Q01959 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
RIPK1 Q13546 1/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 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
SCHEMBL580896 0.91 ALDH1A1 (0.43) DPP4DPP7DPP9DPP8ALDH1A1
SCHEMBL581898 0.87 PLG (0.52) DPP4DPP7DPP9DPP8ALDH1A1
SCHEMBL580826 0.84 PLG (0.50) PLGSLC6A3
SCHEMBL581181 0.82 ALDH1A1 (0.42) DPP4DPP7DPP9DPP8ALDH1A1
SCHEMBL581503 0.81 PLG (0.53) PLGSLC6A3
SCHEMBL580694 0.81 CYP3A4 (0.41) ALDH1A1CYP3A4PLGTDP1
SCHEMBL580821 0.80 PLG (0.38) DPP4DPP7DPP9DPP8PLG
SCHEMBL28812102 0.80 DPP4 (0.40) DPP4DPP7DPP9DPP8ALDH1A1
SCHEMBL28812104 0.80 PLG (0.39) DPP4DPP7DPP9DPP8ALDH1A1
Hydrochloric Acid SCHEMBL581112 0.78 HTR2A (0.36) DPP4DPP7DPP9DPP8PLG

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 DPP4 754/4885DPP7 3706/4885DPP9 3914/4885

“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.