SCHEMBL10072329

SCHEMBL10072329

Cc1cc(C2(C(F)(F)F)CC(c3ccc(C(=O)O)c4ccccc34)=NO2)cc(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
HPGD P15428 1/20 0.33
RARA P10276 3/20 0.32
RARB P10826 3/20 0.32
RARG P13631 3/20 0.32
PDK2 Q15119 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL10072328 0.91 PDK2 (0.35) CA1CA2HPGDPDK2
SCHEMBL10072347 0.89 CA1 (0.35) CA1CA2HPGDRARARARB
SCHEMBL872468 0.89 CA1 (0.32) CA1CA2
SCHEMBL10072330 0.87 ALOX5AP (0.35) CA1CA2PDK2
SCHEMBL10072331 0.86 CA1 (0.32) CA1CA2
SCHEMBL10072339 0.85 HPGD (0.35) CA1CA2HPGDPDK2KDM4E
SCHEMBL871282 0.85 PDK2 (0.37) CA1CA2HPGDPDK2KDM4E
SCHEMBL10316194 0.84 TYMS (0.35) CA1CA2HPGDPDK2KDM4E
SCHEMBL21863425 0.83 PDK2 (0.36) CA1CA2HPGDPDK2KDM4E
SCHEMBL872236 0.83 RXRA (0.34) HPGDPDK2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 CA1 2008/4885CA2 1391/4885HPGD 1699/4885

“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.