SCHEMBL4353671

SCHEMBL4353671

O=C(Nc1ccc(C(F)(F)F)cc1)N(S)c1cccc(Cl)c1O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 3/20 0.49
P2RX4 Q99571 2/20 0.49
P2RX7 Q99572 2/20 0.49
TMPRSS4 Q9NRS4 2/20 0.49
KCNJ5 P48544 1/20 0.47
KCNJ3 P48549 1/20 0.47
EPHX2 P34913 1/20 0.44
BAZ1A Q9NRL2 1/20 0.44
MTOR P42345 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
KLK1 P06870 1/20 0.41
KLK5 Q9Y337 1/20 0.41
KLKB1 P03952 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
PTGS1 P23219 1/20 0.40
KIF11 P52732 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
SCHEMBL4348054 0.86 EPHX2 (0.45) P2RX1P2RX4P2RX7TMPRSS4EPHX2
SCHEMBL4343809 0.85 TSHR (0.47) EPHX2NPC1RAB9AKLKB1
SCHEMBL4347315 0.84 EGFR (0.49) NPC1RAB9AKLKB1
SCHEMBL4354221 0.84 P2RX1 (0.46) P2RX1P2RX4P2RX7TMPRSS4KCNJ5
SCHEMBL4347497 0.82 MAPT (0.47) P2RX1P2RX4P2RX7TMPRSS4KCNJ5
SCHEMBL4359460 0.80 EPHX2 (0.46) P2RX1P2RX4P2RX7TMPRSS4KCNJ5
SCHEMBL4354035 0.79 MEN1 (0.42) P2RX1P2RX4P2RX7TMPRSS4RAB9A
SCHEMBL4346890 0.79 KMT2A (0.43) P2RX1P2RX4P2RX7TMPRSS4NPC1
SCHEMBL4347869 0.79 MTOR (0.43) P2RX1P2RX4P2RX7TMPRSS4KCNJ5
SCHEMBL4347077 0.79 EPHX2 (0.45) P2RX1P2RX4P2RX7TMPRSS4EPHX2

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 P2RX1 2577/4885P2RX4 2254/4885P2RX7 3177/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 P2RX1 2600/4885P2RX4 2271/4885P2RX7 3241/4885

“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.