SCHEMBL4356038

SCHEMBL4356038

CCCCCNC(=O)N(S)c1cccc(Cl)c1O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
EPHX1 P07099 6/20 0.42
EGFR P00533 1/20 0.41
EPHX2 P34913 3/20 0.40
NAAA Q02083 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
ALOX5 P09917 1/20 0.38

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
SCHEMBL4350070 0.85 NAAA (0.40) HPGDEPHX1EPHX2NAAASMN1; SMN2
SCHEMBL4350873 0.82 EPHX1 (0.40) EPHX1EPHX2NAAAALDH1A1TRPV1
SCHEMBL4356059 0.80 NPC1 (0.50) HPGDEPHX1SMN1; SMN2LMNAALDH1A1
SCHEMBL4358550 0.78 EPHX2 (0.39) HPGDEPHX1EPHX2NAAATRPV1
SCHEMBL4348484 0.77 EPHX2 (0.43) EPHX1EPHX2NAAATRPV1
SCHEMBL4355852 0.77 EPHX2 (0.48) EPHX1EPHX2NAAASMN1; SMN2LMNA
SCHEMBL4346809 0.77 TRPV1 (0.46) EPHX1EPHX2NAAAALDH1A1TRPV1
SCHEMBL4346130 0.74 CA1 (0.51) EPHX1EPHX2NAAATRPV1
SCHEMBL4341634 0.74 ALDH1A1 (0.40) HPGDEGFRSMN1; SMN2LMNAALDH1A1
SCHEMBL4348991 0.74 NAAA (0.52) EGFRNAAAHTTTRPV1ALOX5

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 HPGD 3561/4885EPHX1 1676/4885EGFR 1661/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 HPGD 3127/4885EPHX1 1334/4885EGFR 1635/4885

“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.