SCHEMBL587414

SCHEMBL587414

COC(=O)C1CCN(C(=O)OC)C(Cc2c(F)cccc2F)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 3/20 0.42
TSHR P16473 2/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 9/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
OPRK1 P41145 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ACHE P22303 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HCRTR2 O43614 1/20 0.37
ALOX15 P16050 1/20 0.36

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
SCHEMBL580897 0.91 SMN1; SMN2 (0.39) SMN1; SMN2KDM4ETSHRPOLBCYP3A4
SCHEMBL586962 0.87 ALDH1A1 (0.42) SMN1; SMN2KDM4EPOLBMEN1KMT2A
SCHEMBL3081096 0.84 KDM4E (0.44) SMN1; SMN2KDM4ETSHRPOLBMEN1
SCHEMBL3075699 0.84 KDM4E (0.44) SMN1; SMN2KDM4ETSHRPOLBMEN1
SCHEMBL581529 0.84 KDM4E (0.44) SMN1; SMN2KDM4ETSHRPOLBMEN1
SCHEMBL587215 0.84 ALDH1A1 (0.42) SMN1; SMN2KDM4EPOLBMEN1KMT2A
SCHEMBL586767 0.83 ALDH1A1 (0.43) KDM4EPOLBKMT2AALDH1A1MAPT
SCHEMBL588023 0.82 OPRK1 (0.45) SMN1; SMN2CYP3A4KMT2AALDH1A1MAPT
SCHEMBL587316 0.82 ALDH1A1 (0.47) SMN1; SMN2KDM4ECYP3A4ALDH1A1MAPT
SCHEMBL586719 0.81 OPRK1 (0.42) SMN1; SMN2CYP3A4MEN1KMT2AALDH1A1

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
US-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2010-10-14 US disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 WO 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 SMN1; SMN2 2619/4885KDM4E 2668/4885TSHR 92/4885

“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.