SCHEMBL872236

SCHEMBL872236

O=C(O)c1ccc(C2=NOC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)c2ccccc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
LTB4R Q15722 2/20 0.33
LTB4R2 Q9NPC1 2/20 0.33
CCR2 P41597 2/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
TACR1 P25103 3/20 0.33
P2RX1 P51575 1/20 0.33
P2RX3 P56373 1/20 0.33
P2RX4 Q99571 1/20 0.33
P2RX7 Q99572 1/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
MGLL Q99685 1/20 0.32
PDK2 Q15119 1/20 0.32
XDH P47989 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
SCHEMBL870558 0.94 LTB4R (0.32) RXRARXRBLTB4RLTB4R2CCR2
SCHEMBL30313890 0.93 ACLY (0.38) LTB4RLTB4R2PDK2ACLY
SCHEMBL10072324 0.93 TAS2R14 (0.39) RXRARXRBLTB4RLTB4R2CCR2
SCHEMBL2780339 0.93 ACLY (0.38) LTB4RLTB4R2PDK2ACLY
SCHEMBL869874 0.89 CFTR (0.37) P2RX1P2RX3P2RX4P2RX7KDM4E
SCHEMBL10316194 0.89 TYMS (0.35) HSD17B10KDM4EALDH1A1HPGDPDK2
SCHEMBL871548 0.88 PDK2 (0.40) HSD17B10KDM4EALDH1A1HPGDPDK2
SCHEMBL3107706 0.88 TACR1 (0.38) TACR1P2RX1P2RX3P2RX4P2RX7
SCHEMBL871282 0.88 PDK2 (0.37) HSD17B10KDM4EALDH1A1HPGDPDK2
SCHEMBL21863425 0.87 PDK2 (0.36) HSD17B10KDM4EALDH1A1HPGDPDK2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619189-B1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS ZOETIS SERVICES LLC (US) 2020-04-15 EP disclosed
EP-2619189-B1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS ZOETIS SERVICES LLC (US) 2020-04-15 EP disclosed
EP-2619189-A1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS Zoetis LLC (US) 2013-07-31 EP disclosed
US-8404649-B2 Isoxazoline oximes as antiparasitic agents AH USA 42 LLC (US) 2013-03-26 US disclosed
US-8404649-B2 Isoxazoline oximes as antiparasitic agents AH USA 42 LLC (US) 2013-03-26 US disclosed
US-20120077765-A1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS PFIZER INC. (US) 2012-03-29 US disclosed
US-20120077765-A1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS PFIZER INC. (US) 2012-03-29 US disclosed
WO-2012038851-A1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS PFIZER INC. (US) 2012-03-29 WO disclosed
WO-2012038851-A1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS PFIZER INC. (US) 2012-03-29 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-20120077765-A1 ISOXAZOLINE OXIMES AS ANTIPARASITIC AGENTS CYP1A2, CYP3A7, CYP2E1 RXRA 265/4885RXRB 215/4885LTB4R 2430/4885

“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.