SCHEMBL4354666

SCHEMBL4354666

O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cc(Cl)cc(Cl)c1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.62
IGF1R P08069 2/20 0.55
TDP1 Q9NUW8 1/20 0.52
FAAH O00519 1/20 0.51
STING1 Q86WV6 1/20 0.50
IDH1 O75874 1/20 0.50
P2RY1 P47900 8/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MEN1 O00255 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
CASP3 P42574 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
EPHX1 P07099 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
SCHEMBL4346219 0.85 EPHX2 (0.71) EPHX2IGF1RTDP1FAAHSTING1
SCHEMBL4345449 0.84 EPHX2 (0.54) EPHX2IGF1RTDP1FAAHSTING1
SCHEMBL4348609 0.84 EPHX2 (0.64) EPHX2IGF1RTDP1FAAHSTING1
SCHEMBL4350274 0.84 EPHX2 (0.64) EPHX2IGF1RTDP1FAAHSTING1
SCHEMBL4349059 0.83 GRIK1 (0.63) EPHX2RAB9AMEN1MAPTHTT
SCHEMBL4348490 0.82 GRIK1 (0.59) EPHX2NPC1RAB9AMEN1MAPT
SCHEMBL4356110 0.82 EPHX2 (0.58) EPHX2IGF1RTDP1FAAHSTING1
SCHEMBL26697230 0.81 EPHX2 (0.64) EPHX2IGF1RTDP1FAAHSTING1
SCHEMBL4355989 0.81 STK39 (0.67) P2RY1RAB9AMEN1MAPTKMT2A
SCHEMBL4923807 0.81 EPHX2 (0.83) EPHX2IGF1RTDP1FAAHIDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF JERINI AG (DE) 2011-03-17 US claimed
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 EP claimed
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors JERINI AG (DE) 2007-03-08 US claimed
CN-1701061-A Novel compounds for inhibiting rotamase enzymes and uses thereof JERINI AG (DE) 2005-11-23 CN claimed
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 EP 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 (2 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-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF NR1I3, NR1D1, NR1D2 EPHX2 769/4885IGF1R 513/4885TDP1 4871/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 EPHX2 627/4885IGF1R 813/4885TDP1 4850/4885

“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.