SCHEMBL581126

SCHEMBL581126

COC(=O)C1CCNC(Cc2cc(F)cc(C(F)(F)F)c2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP3A4 P08684 6/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 2/20 0.35
FFAR4 Q5NUL3 1/20 0.35
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SCN9A Q15858 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
PLG P00747 2/20 0.34
TACR1 P25103 2/20 0.34
SLC6A4 P31645 1/20 0.34
LMNA P02545 1/20 0.34
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
ADRB2 P07550 1/20 0.34
TBXA2R P21731 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
SCHEMBL580821 0.90 PLG (0.38) PLGSLC6A4
SCHEMBL581990 0.85 CYP3A4 (0.43) MAPTTDP1CYP3A4KDM4ESCN9A
SCHEMBL581052 0.84 POLB (0.43) TDP1HTTALDH1A1TSHRKDM4E
SCHEMBL582203 0.82 LMNA (0.36) CYP3A4ALDH1A1RXRARXRBRXRG
SCHEMBL28794694 0.81 BACE1 (0.41) CYP3A4HTTALDH1A1FFAR4TSHR
SCHEMBL580826 0.81 PLG (0.50) PLGSLC6A4
SCHEMBL28794700 0.81 FFAR4 (0.44) CYP3A4FFAR4TSHRKDM4ERXRA
SCHEMBL581503 0.81 PLG (0.53) PLGSLC6A4
Hydrochloric Acid SCHEMBL581112 0.80 HTR2A (0.36) PLGSLC6A4
SCHEMBL581048 0.79 PDE2A (0.37) 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 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 MAPT 4513/4885TDP1 3355/4885CYP3A4 21/4885

“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.