SCHEMBL5459665

SCHEMBL5459665

[NH]C(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.56
EPHX2 P34913 3/20 0.53
NR1H4 Q96RI1 1/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
FAAH O00519 1/20 0.49
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
AURKA O14965 1/20 0.46
TPX2 Q9ULW0 1/20 0.46
TLR7 Q9NYK1 2/20 0.45
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TSHR P16473 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
SCHEMBL4475347 0.83 NPC1 (0.60) TRPV1EPHX2NR1H4NPC1RAB9A
SCHEMBL20015846 0.83 EPHX2 (0.57) TRPV1EPHX2NR1H4NPC1RAB9A
SCHEMBL219654 0.81 EPHX2 (0.68) TRPV1EPHX2NPC1RAB9AFAAH
Hydrochloric Acid SCHEMBL3539826 0.81 NPC1 (0.58) TRPV1EPHX2NR1H4NPC1RAB9A
SCHEMBL7714214 0.81 EPHX2 (0.55) TRPV1EPHX2NR1H4NPC1RAB9A
SCHEMBL26622227 0.81 EPHX2 (0.55) TRPV1EPHX2NR1H4NPC1RAB9A
SCHEMBL162647 0.79 EPHX2 (0.53) TRPV1EPHX2NR1H4NPC1RAB9A
SCHEMBL7769320 0.79 ELANE (0.43) TRPV1EPHX2NR1H4RAB9AHPGD
SCHEMBL1938699 0.79 CES1 (0.54) TRPV1EPHX2NR1H4NPC1RAB9A
SCHEMBL514074 0.79 EPHX2 (0.53) TRPV1EPHX2NR1H4NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2006-03-16 US claimed
EP-1472216-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE Axys Pharmaceuticals (US) 2004-11-03 EP claimed
WO-2003066579-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS (US) 2003-08-14 WO claimed
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 US disclosed
EP-1666469-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2006-06-07 EP disclosed
US-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2006-03-16 US disclosed
EP-1472216-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE Axys Pharmaceuticals (US) 2004-11-03 EP disclosed
WO-2003066579-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS (US) 2003-08-14 WO 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-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 TRPV1 3489/4885EPHX2 2952/4885NR1H4 4231/4885
US-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 TRPV1 4432/4885EPHX2 2697/4885NR1H4 920/4885

“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.