SCHEMBL570090

SCHEMBL570090

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

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SSTR5 P35346 1/20 0.32
HDAC1 Q13547 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
SCHEMBL570080 0.94 RXFP1 (0.36) RXFP1TDP1SSTR5HDAC1
SCHEMBL568927 0.92 RXFP1 (0.40) RXFP1TDP1SSTR5
SCHEMBL569051 0.90 RXFP1 (0.39) RXFP1TDP1SSTR5
SCHEMBL568935 0.90 RXFP1 (0.36) RXFP1TDP1SSTR5
SCHEMBL570195 0.90 RXFP1 (0.31) RXFP1TDP1SSTR5
SCHEMBL569374 0.90 RXFP1 (0.41) RXFP1TDP1SSTR5
SCHEMBL569750 0.89 RXFP1 (0.41) RXFP1TDP1SSTR5
SCHEMBL569189 0.89 RXFP1 (0.39) RXFP1TDP1
SCHEMBL570125 0.88 RXFP1 (0.42) RXFP1TDP1SSTR5
SCHEMBL568954 0.88 RXFP1 (0.38) RXFP1TDP1

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 5 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 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
US-20120035122-A1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS ZOETIS SERVICES LLC 2012-02-09 US disclosed
WO-2012017359-A1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS PFIZER INC. (US) 2012-02-09 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-20120035122-A1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS ADORA1, CYP3A7, RDX RXFP1 26/4885TDP1 2818/4885SSTR5 838/4885

“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.