SCHEMBL4879852

SCHEMBL4879852

O=S(=O)(Nc1cccnc1)c1cc(-c2n[nH]cc2Oc2ccccc2Cl)c(O)cc1O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALPL P05186 14/20 0.46
ALDH1A1 P00352 4/20 0.45
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NOTUM Q6P988 1/20 0.41
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL4882855 0.91 THRB (0.41) NPC1
SCHEMBL4883703 0.90 PTGS1 (0.39) ALDH1A1
SCHEMBL4881336 0.86 ALDH1A1 (0.40) ALDH1A1LMNA
SCHEMBL4880103 0.85 PFKFB3 (0.40) ALDH1A1LMNAKMT2A
SCHEMBL4881508 0.83 KDM4E (0.44) ALDH1A1LMNAKMT2A
SCHEMBL4880023 0.81 ACLY (0.45) ALDH1A1
SCHEMBL4880243 0.80 GAA (0.39) KMT2ATDP1
SCHEMBL4883423 0.79 LMNA (0.42) ALDH1A1LMNARAB9ATDP1
SCHEMBL4884645 0.75 ALDH1A1 (0.46) ALPLALDH1A1LMNANPC1
SCHEMBL4871718 0.74 MAPT (0.39) ALDH1A1LMNAKMT2ANPC1RAB9A

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 7 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
CN-101035766-A 3-(2-hydroxyphenyl) pyrazoles and their use as HSP90 modulators MERCK PATENT GMBH (DE) 2007-09-12 CN 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 ALPL 4713/4885ALDH1A1 1963/4885LMNA 4229/4885

“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.