SCHEMBL3074964

SCHEMBL3074964

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLG P00747 11/20 0.42
CHIT1 Q13231 2/20 0.40
CHIA Q9BZP6 2/20 0.40
ENPP2 Q13822 1/20 0.37
TACR1 P25103 3/20 0.37
OPRK1 P41145 1/20 0.35
MAPT P10636 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 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
SCHEMBL3073252 1.00 PLG (0.42) PLGCHIT1CHIAENPP2TACR1
SCHEMBL581453 1.00 PLG (0.42) PLGCHIT1CHIAENPP2TACR1
SCHEMBL587117 1.00 PLG (0.42) PLGCHIT1CHIAENPP2TACR1
SCHEMBL586957 0.92 PLG (0.56) PLGCHIT1CHIAENPP2TACR1
SCHEMBL586955 0.92 PLG (0.56) PLGCHIT1CHIAENPP2TACR1
SCHEMBL586956 0.92 PLG (0.56) PLGCHIT1CHIAENPP2TACR1
SCHEMBL3063147 0.90 PLG (0.54) PLG
SCHEMBL3080464 0.90 PLG (0.54) PLG
SCHEMBL3083188 0.90 PLG (0.54) PLG
SCHEMBL581507 0.90 PLG (0.54) PLG

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 2 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
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 4861/4885CHIT1 3687/4885CHIA 3540/4885

“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.