SCHEMBL4400713

SCHEMBL4400713

C#Cc1ccc(OC(F)(F)F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.46
PDE2A O00408 2/20 0.43
SLC7A5 Q01650 1/20 0.35
CTSK P43235 1/20 0.34
NAAA Q02083 1/20 0.34
PTPN1 P18031 2/20 0.33
TRPM8 Q7Z2W7 1/20 0.32
ABL1 P00519 1/20 0.32
MAP2K2 P36507 1/20 0.32
MAP2K1 Q02750 1/20 0.32
FAAH O00519 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
SCHEMBL30278498 0.85 EPHX2 (0.36) EPHX2PDE2APTPN1
SCHEMBL25072879 0.85 EPHX2 (0.36) EPHX2PDE2APTPN1
SCHEMBL8532979 0.84 EPHX2 (0.40) EPHX2PDE2ASLC7A5CTSKNAAA
SCHEMBL16958655 0.81 EPHX2 (0.46) EPHX2PDE2ASLC7A5CTSKNAAA
SCHEMBL9996574 0.81 PDE2A (0.46) EPHX2PDE2ASLC7A5CTSKNAAA
SCHEMBL524595 0.81 EPHX2 (0.46) EPHX2PDE2ASLC7A5
SCHEMBL2437123 0.77 RAB9A (0.46)
SCHEMBL29376896 0.76 EPAS1 (0.33) EPHX2PTPN1
SCHEMBL26979442 0.76 EPAS1 (0.33) EPHX2PTPN1
SCHEMBL3935869 0.75 ADRA2B (0.41) EPHX2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016086071-A1 SPECTRALLY ENCODED CONSUMABLE SPECTROMETER APPARATUS AND METHODS NUEOU, INC. (US) 2016-06-02 WO disclosed
US-8383658-B2 Isoxazole based neuronal nicotinic receptor ligands and methods of use ABBOTT LABORATORIES (US) 2013-02-26 US disclosed
US-20090306096-A1 Novel Isoxazoles and Methods of Use Thereof ABBOTT LABORATORIES (US) 2009-12-10 US disclosed
US-5725797-A Silacyclohexane compound, a process for producing the same, and a liquid crystal composition comprising the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-03-10 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-20090306096-A1 Novel Isoxazoles and Methods of Use Thereof XDH, PRDX5, CYP4X1 EPHX2 357/4885PDE2A 969/4885SLC7A5 3753/4885

“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.