SCHEMBL10072339

SCHEMBL10072339

Cc1cc(F)cc(C2(C(F)(F)F)CC(c3ccc(C(=O)O)c4ccccc34)=NO2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.35
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ORAI1 Q96D31 1/20 0.31
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SYK P43405 1/20 0.30
PDK2 Q15119 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL10072338 0.91 PDK2 (0.34) HPGDCA1CA2LMNAGLA
SCHEMBL10072324 0.89 TAS2R14 (0.39) HPGDLMNAGLAALOX15TSHR
SCHEMBL870558 0.88 LTB4R (0.32) HPGDCA1CA2HSD17B10PDK2
SCHEMBL870417 0.88 PDK2 (0.34) CA1CA2ORAI1PDK2
SCHEMBL10072341 0.86 HPGD (0.31) HPGDCA1CA2MEN1KMT2A
SCHEMBL10072329 0.85 CA1 (0.34) HPGDCA1CA2PDK2KDM4E
SCHEMBL10316194 0.85 TYMS (0.35) HPGDCA1CA2TSHRHSD17B10
SCHEMBL10072347 0.84 CA1 (0.35) HPGDCA1CA2HSD17B10MEN1
SCHEMBL871282 0.84 PDK2 (0.37) HPGDCA1CA2TSHRHSD17B10
SCHEMBL872236 0.84 RXRA (0.34) HPGDHSD17B10PDK2KDM4E

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

“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.