SCHEMBL582060

SCHEMBL582060

COC(=O)N1CCC(C(O)=C2C(=O)OC(C)(C)OC2=O)CC1Cc1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHIT1 Q13231 2/20 0.37
CHIA Q9BZP6 2/20 0.37
TACR1 P25103 6/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
OPRK1 P41145 2/20 0.35
CCR5 P51681 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL581154 0.82 CHIT1 (0.43) CHIT1CHIATACR1PSEN1PSEN2
SCHEMBL586739 0.80 OPRK1 (0.50) CHIT1CHIATACR1OPRK1MAPT
SCHEMBL580852 0.74 PSEN1 (0.49) TACR1PSEN1PSEN2APH1BNCSTN
SCHEMBL3073152 0.74 MAPT (0.45) CHIT1CHIAMAPTTSHR
SCHEMBL3069164 0.74 MAPT (0.45) CHIT1CHIAMAPTTSHR
SCHEMBL582142 0.74 MAPT (0.45) CHIT1CHIAMAPTTSHR
SCHEMBL8481125 0.73 TACR1 (0.50) CHIT1CHIATACR1OPRK1CCR5
SCHEMBL8481128 0.73 TACR1 (0.50) CHIT1CHIATACR1OPRK1CCR5
SCHEMBL580834 0.71 NOTUM (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL581453 0.70 PLG (0.42) CHIT1CHIATACR1OPRK1MAPT

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 CHIT1 3687/4885CHIA 3540/4885TACR1 474/4885

“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.