SCHEMBL2889594

SCHEMBL2889594

c1ccc(Oc2ccc(C3CO3)cc2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.48
LTA4H P09960 1/20 0.48
TSHR P16473 1/20 0.47
PDE10A Q9Y233 1/20 0.44
HRH3 Q9Y5N1 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ADRA2A P08913 3/20 0.39
MMP1 P03956 1/20 0.39
MMP13 P45452 1/20 0.39
TNK2 Q07912 1/20 0.39
IP6K1 Q92551 1/20 0.38
IP6K3 Q96PC2 1/20 0.38
IP6K2 Q9UHH9 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
ADRA1A P35348 2/20 0.38
FFAR4 Q5NUL3 1/20 0.36
HTR1A P08908 2/20 0.36
TLR4 O00206 1/20 0.36
TLR2 O60603 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
SCHEMBL11143982 0.82 PTGS2 (0.57) PTGS2LTA4HPDE10AHRH3KDM4E
SCHEMBL12426938 0.80 NPC1 (0.50) LTA4HTSHRKDM4EADRA2A
SCHEMBL8828040 0.78 TSHR (0.64) LTA4HTSHRADRA2AADRA1AHTR1A
SCHEMBL8828036 0.78 TSHR (0.64) LTA4HTSHRADRA2AADRA1AHTR1A
SCHEMBL7039757 0.78 TSHR (0.64) LTA4HTSHRADRA2AADRA1AHTR1A
SCHEMBL674815 0.78 TSHR (0.54) LTA4HTSHRADRA2AADRA1AHTR1A
SCHEMBL2889595 0.78 LOXL2 (0.49) LTA4HTSHRADRA2AADRA1AHTR1A
SCHEMBL147539 0.76 LOXL2 (0.52) PTGS2LTA4HTSHRPDE10AKDM4E
SCHEMBL29610302 0.76 LOXL2 (0.52) PTGS2LTA4HTSHRPDE10AKDM4E
SCHEMBL17602290 0.75 KDM4C (0.54) PTGS2LTA4H

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
EP-2098517-B1 NOVEL PHENYL-ISOXAZOL-3-OL DERIVATIVE MSD KK (JP) 2013-12-18 EP disclosed
US-8367708-B2 Phenyl-isoxazol-3-ol derivative MSD K.K. (JP) 2013-02-05 US disclosed
US-20100130559-A1 NOVEL PHENYL-ISOXAZOL-3-OL DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
EP-2098517-A1 NOVEL PHENYL-ISOXAZOL-3-OL DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-09 EP 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-20100130559-A1 NOVEL PHENYL-ISOXAZOL-3-OL DERIVATIVE GPR119, FFAR3, FFAR2 PTGS2 1762/4885LTA4H 641/4885TSHR 609/4885

“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.