SCHEMBL4353933

SCHEMBL4353933

O=C(Nc1ccc(C(F)(F)F)cc1)N(S)c1cc(Cl)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 9/20 0.60
P2RX1 P51575 6/20 0.60
P2RX4 Q99571 4/20 0.60
P2RX7 Q99572 4/20 0.60
GRIK1 P39086 1/20 0.47
MEN1 O00255 1/20 0.47
IKBKB O14920 1/20 0.47
CHUK O15111 1/20 0.47
KDR P35968 1/20 0.47
FLT3 P36888 1/20 0.47
KMT2A Q03164 1/20 0.47
MYLK Q15746 1/20 0.47
MAP4K5 Q9Y4K4 1/20 0.47
CHRNA7 P36544 1/20 0.45
SLC2A1 P11166 1/20 0.44
EPHX2 P34913 1/20 0.44
RHOC P08134 1/20 0.44
RHOA P61586 1/20 0.44
NTRK1 P04629 1/20 0.44
CDK19 Q9BWU1 1/20 0.44

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
SCHEMBL4351946 0.88 P2RX1 (0.53) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL2838246 0.84 CHRNA7 (0.63) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL4354221 0.84 P2RX1 (0.46) TMPRSS4P2RX1P2RX4P2RX7GRIK1
SCHEMBL4342062 0.83 TMPRSS4 (0.55) TMPRSS4P2RX1P2RX4P2RX7GRIK1
SCHEMBL4359745 0.82 TMPRSS4 (0.50) TMPRSS4P2RX1P2RX4P2RX7CHRNA7
SCHEMBL4341696 0.81 P2RX1 (0.54) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL4341321 0.80 P2RX1 (0.50) TMPRSS4P2RX1P2RX4P2RX7GRIK1
SCHEMBL4350779 0.80 BAZ1A (0.49) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL4341759 0.78 P2RX1 (0.41) TMPRSS4P2RX1P2RX4P2RX7GRIK1
SCHEMBL4345871 0.78 GRIK1 (0.51) TMPRSS4GRIK1KMT2A

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 TMPRSS4 630/4885P2RX1 2577/4885P2RX4 2254/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 TMPRSS4 379/4885P2RX1 2600/4885P2RX4 2271/4885

“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.