SCHEMBL587394

SCHEMBL587394

O=C(O)C1CCN(C(=O)O)C(Cc2cc(F)c(F)c(F)c2)C1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.35
NOTUM Q6P988 3/20 0.35
CHRM2 P08172 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPK14 Q16539 1/20 0.32
POLB P06746 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL587768 0.88 NOTUM (0.37) TACR1NOTUML3MBTL1POLB
SCHEMBL582219 0.87 ALDH1A1 (0.43) TACR1NOTUML3MBTL1ALDH1A1RAB9A
SCHEMBL581620 0.87 TACR1 (0.35) TACR1CHRM2ALDH1A1CYP2C19NPC1
SCHEMBL580893 0.83 NOTUM (0.46) NOTUMALDH1A1SMN1; SMN2
SCHEMBL580965 0.82 NOTUM (0.43) TACR1NOTUM
SCHEMBL581780 0.81 SIGMAR1 (0.41) TACR1L3MBTL1ALDH1A1POLB
SCHEMBL580910 0.81 TACR1 (0.45) TACR1NOTUMCYP2C9CYP2C19POLB
SCHEMBL6952343 0.81 L3MBTL1 (0.49) TACR1NOTUML3MBTL1POLBNPC1
Hydrochloric Acid SCHEMBL587202 0.80
SCHEMBL3081551 0.80 TACR1 (0.39) TACR1L3MBTL1ALDH1A1SMN1; SMN2

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 TACR1 474/4885NOTUM 2559/4885CHRM2 632/4885

“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.