SCHEMBL4883499

SCHEMBL4883499

COc1cc(OC)c(S(=O)(=O)O)cc1-c1n[nH]cc1Oc1ccccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
PTGS2 P35354 4/20 0.36
PTGS1 P23219 3/20 0.36
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
NFE2L2 Q16236 2/20 0.33
MEN1 O00255 1/20 0.33
KCNH2 Q12809 1/20 0.33
PDGFRB P09619 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL4885629 0.90 TRPV4 (0.39) LMNAKMT2APTGS2PTGS1NFE2L2
SCHEMBL4884645 0.82 ALDH1A1 (0.46) LMNAALDH1A1PTGS2PTGS1
SCHEMBL4882813 0.77 ATM (0.41) LMNAKMT2AALDH1A1MAPTMEN1
SCHEMBL4876502 0.77 CYP1A2 (0.41) LMNAKMT2AALDH1A1MAPTMEN1
SCHEMBL4880243 0.74 GAA (0.39) KMT2A
SCHEMBL4871718 0.73 MAPT (0.39) LMNAKMT2AALDH1A1MAPTMEN1
SCHEMBL4882938 0.73 ALDH1A1 (0.50) LMNAALDH1A1MAPTNPSR1
SCHEMBL4882855 0.72 THRB (0.41) MAPT
SCHEMBL4881235 0.72 ALDH1A1 (0.41) LMNAKMT2AALDH1A1MAPTMEN1
SCHEMBL4876500 0.71 MAPT (0.49) LMNAKMT2AALDH1A1MAPT

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
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 LMNA 4229/4885KMT2A 4029/4885ALDH1A1 1963/4885

“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.