SCHEMBL4346809

SCHEMBL4346809

CCCCCNC(=O)N(S)c1cc(Cl)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.46
EPHX1 P07099 3/20 0.45
ALOX15 P16050 2/20 0.44
NAAA Q02083 2/20 0.44
EPHX2 P34913 2/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CDK1 P06493 1/20 0.42
APP P05067 1/20 0.41
ALDH1A1 P00352 1/20 0.40
ALOX12 P18054 1/20 0.40

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) TRPV1EPHX1ALOX15NAAAEPHX2
SCHEMBL4346130 0.80 CA1 (0.51) TRPV1EPHX1NAAAEPHX2CA1
SCHEMBL4348991 0.79 NAAA (0.52) TRPV1ALOX15NAAAAPP
SCHEMBL4345395 0.79 CA1 (0.49) TRPV1ALOX15CA1CA2ALDH1A1
SCHEMBL4348855 0.77 EPHX1 (0.36) TRPV1EPHX1ALOX15NAAAEPHX2
SCHEMBL4356038 0.77 HPGD (0.44) TRPV1EPHX1NAAAEPHX2ALDH1A1
SCHEMBL4358550 0.75 EPHX2 (0.39) TRPV1EPHX1NAAAEPHX2CA1
SCHEMBL4348484 0.75 EPHX2 (0.43) TRPV1EPHX1NAAAEPHX2CA1
SCHEMBL4355852 0.74 EPHX2 (0.48) TRPV1EPHX1NAAAEPHX2ALDH1A1
SCHEMBL4350102 0.74 TRPV1 (0.49) TRPV1NAAAEPHX2APP

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 TRPV1 2328/4885EPHX1 1676/4885ALOX15 2259/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 TRPV1 2320/4885EPHX1 1334/4885ALOX15 2970/4885

“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.