SCHEMBL10072347

SCHEMBL10072347

Cc1cc(C2(C(F)(F)F)CC(c3ccc(C(=O)O)c4ccccc34)=NO2)ccc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
KCNJ6 P48051 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 1/20 0.33
RARA P10276 3/20 0.32
RARB P10826 3/20 0.32
RARG P13631 3/20 0.32
FABP4 P15090 1/20 0.32
FABP5 Q01469 1/20 0.32
CXCR5 P32302 1/20 0.32
POLB P06746 1/20 0.32
CASP6 P55212 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
MPL P40238 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
SCHEMBL10072346 0.91 CA1 (0.35) CA1CA2KCNJ6KCNJ5KCNJ3
SCHEMBL10072329 0.89 CA1 (0.34) CA1CA2HPGDRARARARB
SCHEMBL869742 0.88 PDK2 (0.36) CA1CA2HPGDALDH1A1HSD17B10
SCHEMBL876189 0.88 CA1 (0.33) CA1CA2RARARARBRARG
SCHEMBL10072350 0.87 ALOX5AP (0.35) CA1CA2CXCR5MEN1KMT2A
SCHEMBL10072349 0.86 CA1 (0.32) CA1CA2CXCR5KDM4EHDAC3
SCHEMBL10316194 0.85 TYMS (0.35) CA1CA2HPGDALDH1A1HSD17B10
SCHEMBL10072339 0.84 HPGD (0.35) CA1CA2HPGDHSD17B10KDM4E
SCHEMBL21863425 0.84 PDK2 (0.36) CA1CA2KCNJ6KCNJ5KCNJ3
SCHEMBL871382 0.84 PDK2 (0.36) CA1CA2KCNJ6KCNJ5KCNJ3

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 1391/4885KCNJ6 4012/4885

“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.