SCHEMBL581176

SCHEMBL581176

CCOC(=O)CC(=O)C1CCN(C(=O)OC)C(Cc2cc(F)cc(F)c2)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.38
ALDH1A1 P00352 7/20 0.35
TDP1 Q9NUW8 1/20 0.34
HCRTR2 O43614 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
KDM4E B2RXH2 3/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 2/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
MAPT P10636 1/20 0.32
TACR1 P25103 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
SCHEMBL3069035 1.00 CHRM1 (0.38) CHRM1ALDH1A1TDP1HCRTR2HDAC6
SCHEMBL3085316 1.00 CHRM1 (0.38) CHRM1ALDH1A1TDP1HCRTR2HDAC6
SCHEMBL581857 0.92 CYP3A4 (0.38) ALDH1A1TDP1SMN1; SMN2HTTMAPT
SCHEMBL3074811 0.92 CYP3A4 (0.38) ALDH1A1TDP1SMN1; SMN2HTTMAPT
SCHEMBL581858 0.92 CYP3A4 (0.38) ALDH1A1TDP1SMN1; SMN2HTTMAPT
SCHEMBL3069038 0.91 ALDH1A1 (0.39) CHRM1ALDH1A1TDP1HCRTR2MEN1
SCHEMBL581046 0.91 ALDH1A1 (0.39) CHRM1ALDH1A1TDP1HCRTR2MEN1
SCHEMBL581848 0.91 ALDH1A1 (0.39) CHRM1ALDH1A1TDP1HCRTR2MEN1
SCHEMBL580881 0.90 KMT2A (0.41) ALDH1A1TDP1MEN1KMT2AKDM4E
SCHEMBL582368 0.90 KMT2A (0.41) ALDH1A1TDP1MEN1KMT2AKDM4E

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 CHRM1 291/4885ALDH1A1 2598/4885TDP1 3355/4885

“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.