SCHEMBL4053608

SCHEMBL4053608

O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc2c(c1)OC(F)(F)O2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.61
MTOR P42345 2/20 0.55
BAZ1A Q9NRL2 1/20 0.55
RAB9A P51151 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
USP36 Q9P275 1/20 0.49
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.48
HTT P42858 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPK14 Q16539 1/20 0.47
KCNJ6 P48051 1/20 0.46
KCNJ3 P48549 1/20 0.46

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
SCHEMBL4053993 0.88 MAPT (0.62) MTORBAZ1ARAB9ACYP1A2CYP2C9
SCHEMBL19678085 0.84 KIT (0.56) EPHX2RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL4057629 0.83 NPC1 (0.61) EPHX2RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL19668020 0.83 RAB9A (0.51) RAB9ASMN1; SMN2MAPTMEN1HTT
SCHEMBL19668006 0.82 KDR (0.70) CA1CA2CA9MEN1HTT
SCHEMBL30412355 0.82 KDR (0.70) CA1CA2CA9MEN1HTT
SCHEMBL8518362 0.80 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19SMN1; SMN2USP36
SCHEMBL23208068 0.79 STING1 (0.58) EPHX2RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL30196146 0.79 STING1 (0.58) EPHX2RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL28729179 0.78 EPHX2 (1.00) EPHX2MTORBAZ1ARAB9ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082395-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-03-26 US claimed
US-20090082395-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-03-26 US disclosed
US-20090082395-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-03-26 US disclosed
US-20090082395-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-03-26 US disclosed
WO-2009035951-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2009-03-19 WO disclosed
WO-2009035951-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2009-03-19 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-20090082395-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, LTA4H EPHX2 2/4885MTOR 2084/4885BAZ1A 4729/4885

“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.