SCHEMBL10019217

SCHEMBL10019217

O=C(NCc1ccc(Cl)cc1Cl)C1CCN(S(=O)(=O)c2ccccc2Br)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 12/20 1.00
GAA P10253 1/20 0.65
HTT P42858 1/20 0.65
ALDH1A1 P00352 3/20 0.59
LMNA P02545 2/20 0.59
PKM P14618 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
RECQL P46063 1/20 0.58
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
MEN1 O00255 1/20 0.56
POLB P06746 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL10019212 0.88 EPHX2 (1.00) EPHX2GAAHTTALDH1A1LMNA
SCHEMBL21765926 0.80 SLC13A5 (0.69) EPHX2GAAALDH1A1LMNAPKM
SCHEMBL10019219 0.79 EPHX2 (1.00) EPHX2GAAHTT
SCHEMBL20258781 0.77 PKM (0.74) EPHX2GAAALDH1A1LMNAPKM
SCHEMBL30924136 0.77 SIGMAR1 (0.67) EPHX2
SCHEMBL20509062 0.75 RECQL (0.85) EPHX2GAALMNAPKMRECQL
SCHEMBL30924124 0.74 EPHX2 (0.63) EPHX2GAAHTT
SCHEMBL30924045 0.74 ACKR3 (0.62) EPHX2GAAHTTCA12CA1
SCHEMBL13882047 0.74 P2RX7 (0.61) EPHX2GAAHTTALDH1A1LMNA
SCHEMBL13876177 0.74 EPHX2 (0.61) EPHX2GAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005732-B2 Potent non-urea inhibitors of soluble epoxide hydrolase THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-06-26 US disclosed
US-9175285-B2 Potent non-urea inhibitors of soluble epdxide hydrolase THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-11-03 US disclosed
US-9175285-B2 Potent non-urea inhibitors of soluble epdxide hydrolase THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-11-03 US disclosed
US-20140349368-A1 POTENT NON-UREA INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-11-27 US disclosed
US-20140349368-A1 POTENT NON-UREA INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-11-27 US disclosed
US-8653273-B2 Potent non-urea inhibitors of soluble epoxide hydrolase THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-02-18 US disclosed
US-8653273-B2 Potent non-urea inhibitors of soluble epoxide hydrolase THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-02-18 US disclosed
US-20120029022-A1 Potent Non-Urea Inhibitors Of Soluble Epoxide Hydrolase THE TRUSTEES OF COLUMBIA UNIVESITY IN THE CITY OF NEW YORK (US) 2012-02-02 US disclosed
US-20120029022-A1 Potent Non-Urea Inhibitors Of Soluble Epoxide Hydrolase THE TRUSTEES OF COLUMBIA UNIVESITY IN THE CITY OF NEW YORK (US) 2012-02-02 US disclosed
WO-2010080183-A1 POTENT NON-UREA INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2010-07-15 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 (3 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-20140349368-A1 POTENT NON-UREA INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE EPHX1, EPHX2, ECE1 EPHX2 2/4885GAA 2234/4885HTT 4409/4885
US-20120029022-A1 Potent Non-Urea Inhibitors Of Soluble Epoxide Hydrolase EPHX1, EPHX2, ECE1 EPHX2 2/4885GAA 2234/4885HTT 4409/4885
US-10005732-B2 Potent non-urea inhibitors of soluble epoxide hydrolase EPHX1, EPHX2, ECE1 EPHX2 2/4885GAA 2234/4885HTT 4409/4885

“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.