SCHEMBL4873453

SCHEMBL4873453

O=S(=O)(c1cc(-c2n[nH]cc2Oc2ccccc2Cl)c(O)cc1O)N1CCCC(CO)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALOX5AP P20292 5/20 0.40
FEN1 P39748 5/20 0.40
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
ACLY P53396 1/20 0.36
PKLR P30613 1/20 0.35
AKR1C3 P42330 2/20 0.35
AKR1C1 Q04828 1/20 0.35
CCR1 P32246 2/20 0.34
ATM Q13315 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
HTR2C P28335 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL14197368 0.93 LMNA (0.37) LMNAMAPTACLYPKLRATM
SCHEMBL4882813 0.88 ATM (0.41) CYP3A4CYP2C19ALOX5APFEN1LMNA
SCHEMBL4876500 0.87 MAPT (0.49) CYP3A4CYP2C19LMNAMAPT
SCHEMBL4881235 0.82 ALDH1A1 (0.41) LMNAMAPT
SCHEMBL4881914 0.76 KMT2A (0.34) LMNAMAPTACLY
SCHEMBL1630170 0.74 HSP90AA1 (0.44) CYP3A4CYP2C19ALOX5APFEN1LMNA
SCHEMBL4880243 0.74 GAA (0.39) CYP2C19
SCHEMBL4883423 0.73 LMNA (0.42) LMNAMAPT
SCHEMBL4871718 0.72 MAPT (0.39) CYP2C19LMNAMAPT
SCHEMBL4882855 0.71 THRB (0.41) MAPTACLY

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-B1 3-(2-HYDROXYPHENYL) PYRAZOLES AND THEIR USE AS HSP90 MODULATORS MERCK PATENT GMBH (DE) 2014-06-25 EP disclosed
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 CYP3A4 1583/4885CYP2C19 1814/4885ALOX5AP 4475/4885

“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.