SCHEMBL4012023

SCHEMBL4012023

Cc1c(F)cc(NC(=O)NC2CCN(c3ncccc3C(=O)O)CC2)c(F)c1F

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.52
▸ TRPV1 Q8NER1 1/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ PAK1 Q13153 1/20 0.42
▸ MALT1 Q9UDY8 3/20 0.41
▸ EPHX2 P34913 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ OPRK1 P41145 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ RBP4 P02753 1/20 0.39
▸ TTR P02766 1/20 0.39

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
SCHEMBL4012014 0.75 TRPV1 (0.78) KMT2ATRPV1PAK1EPHX2
SCHEMBL5747689 0.69 KMT2A (0.55) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL16034182 0.67 KMT2A (0.68) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL24297726 0.67 KMT2A (0.68) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL13870115 0.67 PAK1 (0.49) TRPV1PAK1MALT1EPHX2
SCHEMBL4010293 0.67 TRPV1 (0.77) TRPV1PAK1EPHX2
SCHEMBL11417960 0.66 EPHX2 (0.51) KMT2AMEN1EPHX2L3MBTL1
SCHEMBL3309889 0.66 KMT2A (0.70) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL15294735 0.66 KMT2A (0.70) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL30477850 0.66 KMT2A (0.70) KMT2AMEN1CYP1A2CYP3A4CYP2C9

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-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. 2009-10-01 — — US claimed
WO-2009086426-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. (US) 2009-07-09 — — WO claimed
US-20080227780-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-09-18 — — US claimed
US-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. 2009-10-01 — — US disclosed
WO-2009086426-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. (US) 2009-07-09 — — 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 (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-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION EPHX1, ECE1, LIPG KMT2A 4287/4885TRPV1 3717/4885MEN1 4861/4885
US-20080227780-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, NCEH1 KMT2A 3884/4885TRPV1 4222/4885MEN1 3797/4885

“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.

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