SCHEMBL4881628

SCHEMBL4881628

Oc1cc(O)c(-c2n[nH]cc2Oc2ccc(F)cc2F)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 0.38
LPAR2 Q9HBW0 2/20 0.38
TRPA1 O75762 8/20 0.36
HSP90AA1 P07900 3/20 0.36
MAPK14 Q16539 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33

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
SCHEMBL4877833 0.89 HSP90AA1 (0.44) HSP90AA1ESR1ESR2
SCHEMBL4882081 0.85 HSP90AA1 (0.42) HSP90AA1ESR1ESR2
SCHEMBL4882929 0.82 LPAR2 (0.46) LPAR2TRPA1MAPK14ESR1
SCHEMBL4880054 0.81 HSP90AA1 (0.41) EPAS1HSP90AA1ESR1ESR2
SCHEMBL4881567 0.80 HSP90AA1 (0.37) HSP90AA1ESR1ESR2
SCHEMBL4879596 0.79 CAMK2A (0.37) HSP90AA1ESR1ESR2
SCHEMBL4873473 0.79 HSP90AA1 (0.41) HSP90AA1ESR1ESR2
SCHEMBL4881078 0.78 HSP90AA1 (0.40) HSP90AA1ESR1ESR2
SCHEMBL4876588 0.77 HSP90AA1 (0.40) TRPA1HSP90AA1ESR1ESR2
SCHEMBL4881255 0.76 HSP90AA1 (0.37) HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799649-B1 3-(2-HYDROXYPHENYL) PYRAZOLES AND THEIR USE AS HSP90 MODULATORS MERCK PATENT GMBH (DE) 2014-06-25 EP claimed
US-20080090880-A1 3-(2-Hydroxyphenyl) Pyrazoles and Thier Use as Hsp90 Modulators MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-04-17 US claimed
EP-1799649-B1 3-(2-HYDROXYPHENYL) PYRAZOLES AND THEIR USE AS HSP90 MODULATORS MERCK PATENT GMBH (DE) 2014-06-25 EP disclosed
US-20080090880-A1 3-(2-Hydroxyphenyl) Pyrazoles and Thier Use as Hsp90 Modulators MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-04-17 US disclosed
EP-1799649-A1 3-(2-HYDROXYPHENYL) PYRAZOLES AND THEIR USE AS HSP90 MODULATORS Merck Patent GmbH (DE) 2007-06-27 EP disclosed
WO-2006039977-A1 3-(2-HYDROXYPHENYL) PYRAZOLES AND THEIR USE AS HSP90 MODULATORS MERCK PATENT GMBH (DE) 2006-04-20 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 (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-20080090880-A1 3-(2-Hydroxyphenyl) Pyrazoles and Thier Use as Hsp90 Modulators HSP90AB1, HSP90AA1, HSP90AB2P EPAS1 2666/4885LPAR2 4509/4885TRPA1 3673/4885

“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.