SCHEMBL4358489

SCHEMBL4358489

CC(C)NC(=O)N(S)c1cc(Cl)ccc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 4/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPK1 P28482 3/20 0.39
HTT P42858 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALOX15 P16050 1/20 0.39
GAA P10253 1/20 0.39
ANO1 Q5XXA6 1/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 3/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
PKM P14618 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ALOX5 P09917 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PTGES O14684 2/20 0.37

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
SCHEMBL4349366 0.78 LMNA (0.41) SMN1; SMN2MAPK1ALDH1A1KDM4EGAA
SCHEMBL4351946 0.78 P2RX1 (0.53) SMN1; SMN2MEN1KMT2AHTTALDH1A1
SCHEMBL4341696 0.77 P2RX1 (0.54) MEN1KMT2AMAPTNPSR1CA1
SCHEMBL4357469 0.77 MAPK1 (0.38) SMN1; SMN2MAPK1ALDH1A1GAAMAPT
SCHEMBL4356000 0.76 GABRA1 (0.37) RXFP1PTGES
SCHEMBL4347944 0.76 ALOX5 (0.39) ALDH1A1ALOX5PTGESCA1CA2
SCHEMBL4342062 0.75 TMPRSS4 (0.55) SMN1; SMN2HPGDMEN1KMT2AMAPK1
SCHEMBL4347655 0.75 MEN1 (0.47) SMN1; SMN2HPGDMEN1KMT2AALDH1A1
SCHEMBL4345666 0.74 POLB (0.38) SMN1; SMN2HPGDMEN1KMT2AMAPK1
SCHEMBL4346809 0.74 TRPV1 (0.46) ALDH1A1ALOX15CA1CA2

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 SMN1; SMN2 1791/4885HPGD 3561/4885MEN1 2168/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 SMN1; SMN2 3250/4885HPGD 3127/4885MEN1 3901/4885

“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.