SCHEMBL4358550

SCHEMBL4358550

CCCCCNC(=O)N(S)c1cc(Cl)c(C)c(Cl)c1O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.39
TRPV1 Q8NER1 1/20 0.36
CNR2 P34972 3/20 0.36
CNR1 P21554 2/20 0.36
EPHX1 P07099 5/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
NAAA Q02083 2/20 0.34
PTGS2 P35354 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL4350873 0.82 EPHX1 (0.40) EPHX2TRPV1CNR1EPHX1CA1
SCHEMBL4348484 0.78 EPHX2 (0.43) EPHX2TRPV1EPHX1CA1CA2
SCHEMBL4356038 0.78 HPGD (0.44) EPHX2TRPV1EPHX1NAAAHPGD
SCHEMBL4349401 0.77 MGLL (0.38) EPHX2TRPV1EPHX1NAAAHPGD
SCHEMBL4342426 0.75 NPC1 (0.40) EPHX2EPHX1CA1CA2L3MBTL1
SCHEMBL4348855 0.75 EPHX1 (0.36) EPHX2TRPV1CNR2CNR1EPHX1
SCHEMBL4346809 0.75 TRPV1 (0.46) EPHX2TRPV1EPHX1CA1CA2
SCHEMBL4354053 0.74 TRPV1 (0.44) EPHX2TRPV1EPHX1NAAA
SCHEMBL4353170 0.73 ALDH1A1 (0.36) L3MBTL1HPGD
SCHEMBL4348760 0.73 EPHX2 (0.53) EPHX2EPHX1

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 4 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
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 769/4885TRPV1 2328/4885CNR2 152/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 EPHX2 627/4885TRPV1 2320/4885CNR2 216/4885

“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.