SCHEMBL4004073

SCHEMBL4004073

O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 6/20 0.69
MAPT P10636 3/20 0.62
CA12 O43570 2/20 0.62
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
CA9 Q16790 2/20 0.62
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
LMNA P02545 1/20 0.60
TP53 P04637 1/20 0.60
POLB P06746 1/20 0.60
XBP1 P17861 1/20 0.60
ALOX12 P18054 1/20 0.60
HTT P42858 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
CNR2 P34972 1/20 0.60
CES1 P23141 1/20 0.59
EPHX2 P34913 1/20 0.59
KDM4E B2RXH2 1/20 0.59
NAMPT P43490 1/20 0.58

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
SCHEMBL7571036 0.90 CES1 (0.73) MAPTCA1CA2MEN1KMT2A
SCHEMBL4001627 0.88 IDH1 (0.67) IDH1MAPTCA12CA1CA2
SCHEMBL9488026 0.88 CNR2 (0.61) IDH1MAPTCA12CA1CA2
SCHEMBL12010881 0.88 MEN1 (0.68) IDH1MAPTCA12CA1CA2
SCHEMBL12010912 0.86 NR1H3 (0.68) IDH1MAPTCA12CA1CA2
SCHEMBL4922162 0.85 EPHX2 (0.81) IDH1MAPTCA12CA1CA2
SCHEMBL14601685 0.82 MEN1 (0.65) MAPTCA1CA2MEN1KMT2A
SCHEMBL15647764 0.82 IDH1 (1.00) IDH1
SCHEMBL2942043 0.82 RORA (0.74) MEN1KMT2ACES1
SCHEMBL15496614 0.82 IDO1 (0.75) IDH1MAPTCA1CA2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2068857-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS Arete Therapeutics, INC. (US) 2009-06-17 EP claimed
US-20080207621-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-08-28 US claimed
WO-2008040000-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2008-04-03 WO claimed
EP-2068857-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS Arete Therapeutics, INC. (US) 2009-06-17 EP disclosed
US-20080207621-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-08-28 US disclosed
US-20080207621-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-08-28 US disclosed
US-20080207621-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-08-28 US disclosed
WO-2008040000-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2008-04-03 WO disclosed
WO-2008040000-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2008-04-03 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-20080207621-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, NCEH1 IDH1 1860/4885MAPT 4737/4885CA12 1772/4885

“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.