SCHEMBL4350779

SCHEMBL4350779

O=C(Nc1ccc(C(F)(F)F)cc1)N(S)c1ccc(O)cc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ1A Q9NRL2 1/20 0.49
EPHX2 P34913 1/20 0.46
TRPV1 Q8NER1 3/20 0.44
TGM2 P21980 1/20 0.44
MTOR P42345 3/20 0.44
P2RX1 P51575 2/20 0.43
P2RX4 Q99571 1/20 0.43
P2RX7 Q99572 1/20 0.43
TMPRSS4 Q9NRS4 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
KIF11 P52732 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL4343959 0.82 MAOA (0.45) EPHX2TRPV1MTORNPC1RAB9A
SCHEMBL4348897 0.81 MTOR (0.50) EPHX2TRPV1MTORP2RX7CA12
SCHEMBL4353933 0.80 TMPRSS4 (0.60) EPHX2P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL4347077 0.78 EPHX2 (0.45) BAZ1AEPHX2TRPV1TGM2MTOR
SCHEMBL4342177 0.77 TRPV1 (0.50) TRPV1NPC1RAB9AMAPTMEN1
SCHEMBL4348981 0.76 EPHX2 (0.43) BAZ1AEPHX2TRPV1TGM2MTOR
SCHEMBL4354221 0.76 P2RX1 (0.46) BAZ1AEPHX2P2RX1P2RX4P2RX7
SCHEMBL4358931 0.76 EPHX2 (0.49) BAZ1AEPHX2TRPV1TGM2MTOR
SCHEMBL4342201 0.75 EPHX2 (0.45) BAZ1AEPHX2TRPV1TGM2MTOR
SCHEMBL4348054 0.75 EPHX2 (0.45) BAZ1AEPHX2TGM2MTORP2RX1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 BAZ1A 1267/4885EPHX2 627/4885TRPV1 2320/4885

“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.