SCHEMBL4351338

SCHEMBL4351338

O=C(Nc1cc(Cl)ccc1O)N(S)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.59
MAPK1 P28482 2/20 0.59
KCNMA1 Q12791 11/20 0.55
POLB P06746 1/20 0.54
STAT3 P40763 1/20 0.46
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
USP2 O75604 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HIF1A Q16665 1/20 0.44
GRIK1 P39086 1/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL4354016 0.83 EGFR (0.48) ALOX15MAPK1LMNAHTTNPSR1
SCHEMBL4349798 0.79 ALDH1A1 (0.46) MEN1KMT2AGAAMAPTLMNA
SCHEMBL4346206 0.78 TRPV1 (0.50) NPSR1
SCHEMBL4351073 0.77 HTT (0.40) ALOX15MAPK1MEN1KMT2ALMNA
SCHEMBL4341987 0.77 EGFR (0.46) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL7734705 0.76 MAPK1 (0.74) ALOX15MAPK1KCNMA1POLBSTAT3
SCHEMBL4355801 0.76 EGFR (0.48) POLBMEN1KMT2AGAAMAPT
SCHEMBL4351304 0.75 ABCC1 (0.39) ALOX15MEN1KMT2AGAAMAPT
SCHEMBL4345516 0.75 ALOX15 (0.48) ALOX15MAPK1KCNMA1POLBSTAT3
SCHEMBL4341545 0.75 TDP1 (0.44) LMNAKDM4EHTTNPSR1SMN1; SMN2

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 ALOX15 2259/4885MAPK1 2517/4885KCNMA1 1006/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 ALOX15 2970/4885MAPK1 1913/4885KCNMA1 1809/4885

“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.