SCHEMBL568935

SCHEMBL568935

CC(C)C(=O)N1CC(F)(c2ccc(C3=NOC(c4cc(C(F)(F)F)cc(C(F)(F)F)c4)(C(F)(F)F)C3)cc2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
USP2 O75604 5/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
TSHR P16473 2/20 0.33
TACR1 P25103 1/20 0.33
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
CYP3A4 P08684 4/20 0.32
DPP4 P27487 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
CYP2C9 P11712 2/20 0.31
EPHX2 P34913 1/20 0.31
CCR2 P41597 1/20 0.30
APP P05067 1/20 0.30
CMKLR1 Q99788 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL569808 0.94 RXFP1 (0.38) RXFP1TDP1SSTR5
SCHEMBL569349 0.92 CCR2 (0.35) RXFP1TDP1AKR1C3AKR1C2DPP4
SCHEMBL569189 0.90 RXFP1 (0.39) RXFP1TDP1
SCHEMBL570090 0.90 RXFP1 (0.38) RXFP1TDP1SSTR5
SCHEMBL568927 0.89 RXFP1 (0.40) RXFP1TDP1SSTR5
SCHEMBL568954 0.89 RXFP1 (0.38) RXFP1TDP1
SCHEMBL569374 0.89 RXFP1 (0.41) RXFP1TDP1MEN1KMT2ASSTR5
SCHEMBL570145 0.88 POLB (0.33) TDP1USP2CYP1A2CYP2D6TACR1
SCHEMBL570174 0.88 USP2 (0.35) USP2CYP1A2CYP2D6TSHRTACR1
SCHEMBL569857 0.88 RXFP1 (0.36) RXFP1TDP1CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601190-B1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS ZOETIS SERVICES LLC (US) 2018-07-04 EP claimed
US-8415310-B2 Isoxazoline derivatives as antiparasitic agents AH USA 42 LLC (US) 2013-04-09 US claimed
US-20120035122-A1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS ZOETIS SERVICES LLC 2012-02-09 US claimed
EP-2601190-B1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS ZOETIS SERVICES LLC (US) 2018-07-04 EP disclosed
EP-2601190-A1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS AH USA 42 LLC (US) 2013-06-12 EP disclosed
US-8415310-B2 Isoxazoline derivatives as antiparasitic agents AH USA 42 LLC (US) 2013-04-09 US disclosed
WO-2012017359-A1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS PFIZER INC. (US) 2012-02-09 WO disclosed
US-20120035122-A1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS ZOETIS SERVICES LLC 2012-02-09 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-20120035122-A1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS ADORA1, CYP3A7, RDX RXFP1 26/4885TDP1 2818/4885USP2 3565/4885

“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.