SCHEMBL4882855

SCHEMBL4882855

O=S(=O)(Nc1ccccc1)c1cc(-c2n[nH]cc2Oc2ccccc2Cl)c(O)cc1O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
ACLY P53396 3/20 0.41
PGR P06401 3/20 0.40
P2RX4 Q99571 1/20 0.38
MAPT P10636 2/20 0.37
BCL2L1 Q07817 1/20 0.37
MCL1 Q07820 1/20 0.37
NPC1 O15118 1/20 0.36
WDR5 P61964 1/20 0.36

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
SCHEMBL4883703 0.93 PTGS1 (0.39) THRBACLYPGRP2RX4
SCHEMBL4881336 0.93 ALDH1A1 (0.40) THRBACLYPGRP2RX4MAPT
SCHEMBL4879852 0.91 ALPL (0.46) NPC1
SCHEMBL4880103 0.91 PFKFB3 (0.40) ACLY
SCHEMBL4880243 0.86 GAA (0.39) P2RX4
SCHEMBL4881508 0.86 KDM4E (0.44)
SCHEMBL4880023 0.86 ACLY (0.45) ACLYMAPT
SCHEMBL4883423 0.85 LMNA (0.42) P2RX4MAPTMCL1
SCHEMBL4876500 0.79 MAPT (0.49) THRBMAPT
SCHEMBL4871718 0.79 MAPT (0.39) MAPTNPC1

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-A1 3-(2-HYDROXYPHENYL) PYRAZOLES AND THEIR USE AS HSP90 MODULATORS Merck Patent GmbH (DE) 2007-06-27 EP claimed
WO-2006039977-A1 3-(2-HYDROXYPHENYL) PYRAZOLES AND THEIR USE AS HSP90 MODULATORS MERCK PATENT GMBH (DE) 2006-04-20 WO 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

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 THRB 814/4885ACLY 2391/4885PGR 466/4885

“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.